(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine

C18H35N — CID 104575229

IUPAC(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
SMILESC[C@H](NCC1CCC(C(C)(C)C)CC1)C1CCCC1
InChIInChI=1S/C18H35N/c1-14(16-7-5-6-8-16)19-13-15-9-11-17(12-10-15)18(2,3)4/h14-17,19H,5-13H2,1-4H3/t14-,15?,17?/m0/s1
InChIKeyVOMOUHRYJVVBMD-UQPPLGOBSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds4

About (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine

(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine (PubChem CID 104575229) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
PubChem CID104575229
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
SMILESC[C@H](NCC1CCC(C(C)(C)C)CC1)C1CCCC1
InChIInChI=1S/C18H35N/c1-14(16-7-5-6-8-16)19-13-15-9-11-17(12-10-15)18(2,3)4/h14-17,19H,5-13H2,1-4H3/t14-,15?,17?/m0/s1
InChIKeyVOMOUHRYJVVBMD-UQPPLGOBSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
CID 104575103
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
CID 114983139
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
CID 43370762
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
4-tert-butyl-N-(1-cyclopropylpropan-2-yl)cyclohexan-1-amine
CID 63988054
2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine?
The IUPAC name of (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine (CID 104575229) is (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine is C[C@H](NCC1CCC(C(C)(C)C)CC1)C1CCCC1.
What is the InChIKey of (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine?
The InChIKey is VOMOUHRYJVVBMD-UQPPLGOBSA-N. The full InChI is InChI=1S/C18H35N/c1-14(16-7-5-6-8-16)19-13-15-9-11-17(12-10-15)18(2,3)4/h14-17,19H,5-13H2,1-4H3/t14-,15?,17?/m0/s1.
What are the key properties of (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine?
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine is sourced from PubChem (CID 104575229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).