2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine

C17H32N2 — CID 55231832

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine
SMILESCNC1CCC(C)CC1N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-12-4-7-16(18-2)17(8-12)19(3)11-15-10-13-5-6-14(15)9-13/h12-18H,4-11H2,1-3H3
InChIKeyNQTLOPKJIQDYOG-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.13
Rot. Bonds4

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine (PubChem CID 55231832) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine
PubChem CID55231832
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine
SMILESCNC1CCC(C)CC1N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H32N2/c1-12-4-7-16(18-2)17(8-12)19(3)11-15-10-13-5-6-14(15)9-13/h12-18H,4-11H2,1-3H3
InChIKeyNQTLOPKJIQDYOG-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine with MolForge

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 63683283
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737435
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63681524
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
1-N,2-N,4-trimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65487409
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79558147
5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol
CID 79857271
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-methylcyclopentane-1,3-diamine
CID 79468782
N-methylbicyclo[3.1.1]heptan-2-amine
CID 84647867
N,7-dimethylbicyclo[3.3.1]nonan-2-amine
CID 88999597
N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63681873

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine (CID 55231832) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine is CNC1CCC(C)CC1N(C)CC1CC2CCC1C2.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine?
The InChIKey is NQTLOPKJIQDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-12-4-7-16(18-2)17(8-12)19(3)11-15-10-13-5-6-14(15)9-13/h12-18H,4-11H2,1-3H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 55231832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).