1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine

C17H32N2 — CID 63682928

IUPAC1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CC2CC3CCC2C3)CC1
InChIInChI=1S/C17H32N2/c1-13-5-7-17(12-18,8-6-13)19(2)11-16-10-14-3-4-15(16)9-14/h13-16H,3-12,18H2,1-2H3
InChIKeyQFFKMIUKVGRWBX-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.26
Rot. Bonds4

About 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 63682928) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
PubChem CID63682928
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CC2CC3CCC2C3)CC1
InChIInChI=1S/C17H32N2/c1-13-5-7-17(12-18,8-6-13)19(2)11-16-10-14-3-4-15(16)9-14/h13-16H,3-12,18H2,1-2H3
InChIKeyQFFKMIUKVGRWBX-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine
CID 55232625
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine
CID 79952322
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912262
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]cycloheptan-1-amine
CID 63879073
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552298
1-(aminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60893094
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N,4-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588438

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine (CID 63682928) is 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)CC2CC3CCC2C3)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is QFFKMIUKVGRWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-5-7-17(12-18,8-6-13)19(2)11-16-10-14-3-4-15(16)9-14/h13-16H,3-12,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63682928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).