N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C18H35N — CID 81028909

IUPACN-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C2CCCC2CNCC(C)C)CC1
InChIInChI=1S/C18H35N/c1-4-15-8-10-16(11-9-15)18-7-5-6-17(18)13-19-12-14(2)3/h14-19H,4-13H2,1-3H3
InChIKeyOHKGKDZLXHNRIG-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.86
Rot. Bonds6

About N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 81028909) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID81028909
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C2CCCC2CNCC(C)C)CC1
InChIInChI=1S/C18H35N/c1-4-15-8-10-16(11-9-15)18-7-5-6-17(18)13-19-12-14(2)3/h14-19H,4-13H2,1-3H3
InChIKeyOHKGKDZLXHNRIG-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-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033006
N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033141
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81028892
N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
CID 81033857
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826
N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029297
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
CID 64999747
2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
CID 81028351

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 81028909) is N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CCC1CCC(C2CCCC2CNCC(C)C)CC1.
What is the InChIKey of N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OHKGKDZLXHNRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-15-8-10-16(11-9-15)18-7-5-6-17(18)13-19-12-14(2)3/h14-19H,4-13H2,1-3H3.
What are the key properties of N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine 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-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81028909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).