3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine

C17H31N — CID 79550350

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CC2CC3CCC2C3)C1
InChIInChI=1S/C17H31N/c1-2-8-18-17-5-3-4-13(12-17)10-16-11-14-6-7-15(16)9-14/h13-18H,2-12H2,1H3
InChIKeyZZQBZDHSPXHJRL-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.37
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine

3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine (PubChem CID 79550350) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine
PubChem CID79550350
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CC2CC3CCC2C3)C1
InChIInChI=1S/C17H31N/c1-2-8-18-17-5-3-4-13(12-17)10-16-11-14-6-7-15(16)9-14/h13-18H,2-12H2,1H3
InChIKeyZZQBZDHSPXHJRL-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-propylcyclohexane-1,3-diamine
CID 22026573
3-[(5-methyloxolan-2-yl)methyl]-N-propylcyclohexan-1-amine
CID 103131852
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
3-(propan-2-yloxymethyl)-N-propylcycloheptan-1-amine
CID 79569560
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
CID 115847377
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine
CID 79618401
3-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65178231
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine (CID 79550350) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(CC2CC3CCC2C3)C1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine?
The InChIKey is ZZQBZDHSPXHJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-2-8-18-17-5-3-4-13(12-17)10-16-11-14-6-7-15(16)9-14/h13-18H,2-12H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79550350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).