N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)

C44H115N9 — CID 158956427

IUPACN-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)
SMILESC.CC(C)N(C)C.CC(C)NCC1CCCCC1.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C
InChIInChI=1S/C10H21N.C5H13N.7C4H11N.CH4/c1-9(2)11-8-10-6-4-3-5-7-10;1-5(2)6(3)4;7*1-4(2)5-3;/h9-11H,3-8H2,1-2H3;5H,1-4H3;7*4-5H,1-3H3;1H4
InChIKeyJMBFHSYALYURDK-UHFFFAOYSA-N
MW770.47 g/mol
LogP8.46
Rot. Bonds11

About N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)

N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine) (PubChem CID 158956427) has the molecular formula C44H115N9 and a molecular weight of 770.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine).

Molecular Properties

Compound NameN-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)
PubChem CID158956427
Molecular FormulaC44H115N9
Molecular Weight770.47 g/mol
Exact Mass769.93
IUPAC NameN-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)
SMILESC.CC(C)N(C)C.CC(C)NCC1CCCCC1.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C
InChIInChI=1S/C10H21N.C5H13N.7C4H11N.CH4/c1-9(2)11-8-10-6-4-3-5-7-10;1-5(2)6(3)4;7*1-4(2)5-3;/h9-11H,3-8H2,1-2H3;5H,1-4H3;7*4-5H,1-3H3;1H4
InChIKeyJMBFHSYALYURDK-UHFFFAOYSA-N
XLogP8.46
TPSA99.48 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.47
LogP ≤ 58.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

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Related Compounds

2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
CID 103107981
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066
N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane
CID 161258627
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
N-[(1-cycloheptylpiperidin-4-yl)methyl]propan-2-amine
CID 82925346
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)?
The IUPAC name of N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine) (CID 158956427) is N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine).
What is the SMILES notation for N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)?
The canonical SMILES for N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine) is C.CC(C)N(C)C.CC(C)NCC1CCCCC1.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.CNC(C)C.
What is the InChIKey of N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)?
The InChIKey is JMBFHSYALYURDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C5H13N.7C4H11N.CH4/c1-9(2)11-8-10-6-4-3-5-7-10;1-5(2)6(3)4;7*1-4(2)5-3;/h9-11H,3-8H2,1-2H3;5H,1-4H3;7*4-5H,1-3H3;1H4.
What are the key properties of N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)?
N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine) has a molecular weight of 770.47 g/mol, XLogP of 8.46, 11 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine) is sourced from PubChem (CID 158956427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).