1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine

C15H27N — CID 79559407

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N/c1-11-4-6-15(16,7-5-11)10-14-9-12-2-3-13(14)8-12/h11-14H,2-10,16H2,1H3
InChIKeyDHHHHRDSZQZNMG-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.72
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine (PubChem CID 79559407) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
PubChem CID79559407
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N/c1-11-4-6-15(16,7-5-11)10-14-9-12-2-3-13(14)8-12/h11-14H,2-10,16H2,1H3
InChIKeyDHHHHRDSZQZNMG-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethylcyclopentan-1-amine
CID 79558415
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
CID 79550902
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 63682928
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 79559180
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol
CID 79559177
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
CID 79550992
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine
CID 79561416
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-ol
CID 116540023
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine (CID 79559407) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine is CC1CCC(N)(CC2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine?
The InChIKey is DHHHHRDSZQZNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11-4-6-15(16,7-5-11)10-14-9-12-2-3-13(14)8-12/h11-14H,2-10,16H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.72, 2 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-methylcyclohexan-1-amine is sourced from PubChem (CID 79559407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).