bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine

C80H171N11 — CID 158261989

IUPACbis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/2C10H20.2C9H20N2.2C9H19N.2C8H18N2.C8H17N/c2*1-8(2)10-6-4-9(3)5-7-10;2*1-9(2)11-6-4-5-10(3)7-8-11;4*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h2*8-10H,4-7H2,1-3H3;2*9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyGHZCVYXIIRYCEH-UHFFFAOYSA-N
MW1287.32 g/mol
LogP16.42
Rot. Bonds9

About bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine

bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine (PubChem CID 158261989) has the molecular formula C80H171N11 and a molecular weight of 1287.32 g/mol. Its IUPAC name is bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine.

Molecular Properties

Compound Namebis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine
PubChem CID158261989
Molecular FormulaC80H171N11
Molecular Weight1287.32 g/mol
Exact Mass1286.37
IUPAC Namebis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/2C10H20.2C9H20N2.2C9H19N.2C8H18N2.C8H17N/c2*1-8(2)10-6-4-9(3)5-7-10;2*1-9(2)11-6-4-5-10(3)7-8-11;4*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h2*8-10H,4-7H2,1-3H3;2*9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyGHZCVYXIIRYCEH-UHFFFAOYSA-N
XLogP16.42
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.32
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine with MolForge

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Related Compounds

1-Azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
CID 157076819
Carbanide;7,12-dimethyl-6-azoniaspiro[5.6]dodecane;8,11-dimethyl-6-azoniaspiro[5.6]dodecane;8,12-dimethyl-6-azoniaspiro[5.6]dodecane;9,11-dimethyl-6-azoniaspiro[5.6]dodecane;9,12-dimethyl-6-azoniaspiro[5.6]dodecane;10,11-dimethyl-6-azoniaspiro[5.6]dodecane
CID 157625763
Carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane
CID 158563052
Carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane
CID 158632587
Tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)
CID 159030381
Carbanide;1,2,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,4-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,5-trimethyl-6-azoniaspiro[5.6]dodecane
CID 159092012
1,4-Diazatricyclo[4.3.1.13,8]undecane;ethane;bis(4-ethyl-1,4-diazatricyclo[4.3.1.13,8]undecane);propane
CID 159701543
1-Tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine
CID 159879007
Carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane
CID 159958458
Carbanide;1,5-dimethyl-6-azoniaspiro[5.6]dodecane;2,4-dimethyl-6-azoniaspiro[5.6]dodecane;3,4-dimethyl-6-azoniaspiro[5.6]dodecane;1,4,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,4,5-trimethyl-6-azoniaspiro[5.6]dodecane;3,4,5-trimethyl-6-azoniaspiro[5.6]dodecane
CID 160300782
1,3-Dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine
CID 160693849
Carbanide;9,10-dimethyl-6-azoniaspiro[5.6]dodecane;7,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;8,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,10,12-trimethyl-6-azoniaspiro[5.6]dodecane;9,11,12-trimethyl-6-azoniaspiro[5.6]dodecane;10,11,12-trimethyl-6-azoniaspiro[5.6]dodecane
CID 160923622

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?
The IUPAC name of bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine (CID 158261989) is bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine.
What is the SMILES notation for bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?
The canonical SMILES for bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine is CC(C)N1CCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?
The InChIKey is GHZCVYXIIRYCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20.2C9H20N2.2C9H19N.2C8H18N2.C8H17N/c2*1-8(2)10-6-4-9(3)5-7-10;2*1-9(2)11-6-4-5-10(3)7-8-11;4*1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h2*8-10H,4-7H2,1-3H3;2*9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?
bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine has a molecular weight of 1287.32 g/mol, XLogP of 16.42, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine is sourced from PubChem (CID 158261989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).