N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C41H97N7 — CID 157453653

IUPACN,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N.CC(C)N(C)C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NCCN(C)C.CCC(C)C
InChIInChI=1S/C8H17N.C7H18N2.C7H15N.C6H13N.C5H13N.C5H12.C3H9N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-6-9(3)4;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;1-5(2)6(3)4;1-4-5(2)3;1-3(2)4/h8H,3-7H2,1-2H3;7-8H,5-6H2,1-4H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3;3H,4H2,1-2H3
InChIKeyBTCCDILELMQUEY-UHFFFAOYSA-N
MW688.28 g/mol
LogP8.38
Rot. Bonds9

About N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 157453653) has the molecular formula C41H97N7 and a molecular weight of 688.28 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID157453653
Molecular FormulaC41H97N7
Molecular Weight688.28 g/mol
Exact Mass687.78
IUPAC NameN,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N.CC(C)N(C)C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NCCN(C)C.CCC(C)C
InChIInChI=1S/C8H17N.C7H18N2.C7H15N.C6H13N.C5H13N.C5H12.C3H9N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-6-9(3)4;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;1-5(2)6(3)4;1-4-5(2)3;1-3(2)4/h8H,3-7H2,1-2H3;7-8H,5-6H2,1-4H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3;3H,4H2,1-2H3
InChIKeyBTCCDILELMQUEY-UHFFFAOYSA-N
XLogP8.38
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.28
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

N,N-dimethylpropan-2-amine;N-methylpropan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpyrrolidine
CID 159837809
N,N-dimethylpropan-2-amine;methane;1-propan-2-ylpiperidine
CID 159892581
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;molecular hydrogen
CID 145190713
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 167697497
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
N',N'-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 16773593
ethene;1-propan-2-ylpiperidine
CID 177325228

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 157453653) is N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N.CC(C)N(C)C.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NCCN(C)C.CCC(C)C.
What is the InChIKey of N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is BTCCDILELMQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H18N2.C7H15N.C6H13N.C5H13N.C5H12.C3H9N/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-6-9(3)4;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;1-5(2)6(3)4;1-4-5(2)3;1-3(2)4/h8H,3-7H2,1-2H3;7-8H,5-6H2,1-4H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,1-4H3;5H,4H2,1-3H3;3H,4H2,1-2H3.
What are the key properties of N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 688.28 g/mol, XLogP of 8.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;2-methylbutane;propan-2-amine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157453653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).