[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine

C17H31N — CID 79550992

IUPAC[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(CC2CC3CCC2C3)CC1
InChIInChI=1S/C17H31N/c1-2-13-5-7-17(12-18,8-6-13)11-16-10-14-3-4-15(16)9-14/h13-16H,2-12,18H2,1H3
InChIKeyDCFJCBRMKAKMSR-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.36
Rot. Bonds4

About [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine

[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine (PubChem CID 79550992) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
PubChem CID79550992
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(CC2CC3CCC2C3)CC1
InChIInChI=1S/C17H31N/c1-2-13-5-7-17(12-18,8-6-13)11-16-10-14-3-4-15(16)9-14/h13-16H,2-12,18H2,1H3
InChIKeyDCFJCBRMKAKMSR-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethylcyclopentan-1-amine
CID 79558415
[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
CID 103724691
[3-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 113289949
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79123696
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
CID 72700642
1-[1-(aminomethyl)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79134939
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
CID 79550198
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine (CID 79550992) is [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(CC2CC3CCC2C3)CC1.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine?
The InChIKey is DCFJCBRMKAKMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-2-13-5-7-17(12-18,8-6-13)11-16-10-14-3-4-15(16)9-14/h13-16H,2-12,18H2,1H3.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine?
[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine has a molecular weight of 249.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 79550992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).