1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine

C20H35N — CID 79561416

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine
SMILESNC1(CC2CC3CCC2C3)CCCCC1C1CCCCC1
InChIInChI=1S/C20H35N/c21-20(14-18-13-15-9-10-17(18)12-15)11-5-4-8-19(20)16-6-2-1-3-7-16/h15-19H,1-14,21H2
InChIKeyUPBQWPLTKCUZHL-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.28
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine (PubChem CID 79561416) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine
PubChem CID79561416
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine
SMILESNC1(CC2CC3CCC2C3)CCCCC1C1CCCCC1
InChIInChI=1S/C20H35N/c21-20(14-18-13-15-9-10-17(18)12-15)11-5-4-8-19(20)16-6-2-1-3-7-16/h15-19H,1-14,21H2
InChIKeyUPBQWPLTKCUZHL-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.28
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
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
CID 79550198
1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407
2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine
CID 82920767
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine
CID 79562942
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 79559180
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
CID 112562902
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethylcyclopentan-1-amine
CID 79558415
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352919
(4-amino-1,2,3,3a,5,6,7,7a-octahydroinden-4-yl)methanol
CID 83905743
2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65098207

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine (CID 79561416) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine is NC1(CC2CC3CCC2C3)CCCCC1C1CCCCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine?
The InChIKey is UPBQWPLTKCUZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c21-20(14-18-13-15-9-10-17(18)12-15)11-5-4-8-19(20)16-6-2-1-3-7-16/h15-19H,1-14,21H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclohexylcyclohexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.28, 3 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)-2-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 79561416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).