N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

C18H35N — CID 81029843

IUPACN-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CC1CCCC1
InChIInChI=1S/C18H35N/c1-4-19-13-17-10-9-16(14(2)3)12-18(17)11-15-7-5-6-8-15/h14-19H,4-13H2,1-3H3
InChIKeyQQQZPRYKXGFADF-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.86
Rot. Bonds6

About N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 81029843) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID81029843
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CC1CCCC1
InChIInChI=1S/C18H35N/c1-4-19-13-17-10-9-16(14(2)3)12-18(17)11-15-7-5-6-8-15/h14-19H,4-13H2,1-3H3
InChIKeyQQQZPRYKXGFADF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026249
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366
N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81028970
N-[(2-pent-4-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 113374690
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 81029843) is N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)C)CC1CC1CCCC1.
What is the InChIKey of N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is QQQZPRYKXGFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-19-13-17-10-9-16(14(2)3)12-18(17)11-15-7-5-6-8-15/h14-19H,4-13H2,1-3H3.
What are the key properties of N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 265.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).