N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine

C18H35N — CID 81031059

IUPACN-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
SMILESCCNCC1CCC(C(C)(C)C)CC1C1CCCC1
InChIInChI=1S/C18H35N/c1-5-19-13-15-10-11-16(18(2,3)4)12-17(15)14-8-6-7-9-14/h14-17,19H,5-13H2,1-4H3
InChIKeyUUWSDCXRWRXXGC-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.86
Rot. Bonds4

About N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine

N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine (PubChem CID 81031059) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
PubChem CID81031059
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
SMILESCCNCC1CCC(C(C)(C)C)CC1C1CCCC1
InChIInChI=1S/C18H35N/c1-5-19-13-15-10-11-16(18(2,3)4)12-17(15)14-8-6-7-9-14/h14-17,19H,5-13H2,1-4H3
InChIKeyUUWSDCXRWRXXGC-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[(4-tert-butyl-2-cyclopropylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030772
N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine
CID 104813978
N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
CID 81027467
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
CID 81011858
N-[[2-(oxan-3-yl)cyclobutyl]methyl]ethanamine
CID 107138098
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375702
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 104575933
[4-tert-butyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81011372
N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine
CID 81017704

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine (CID 81031059) is N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine is CCNCC1CCC(C(C)(C)C)CC1C1CCCC1.
What is the InChIKey of N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine?
The InChIKey is UUWSDCXRWRXXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-19-13-15-10-11-16(18(2,3)4)12-17(15)14-8-6-7-9-14/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine?
N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine has a molecular weight of 265.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 81031059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).