N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H35N — CID 81396402

IUPACN-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N[C@H](C)C2CCCC2)CC1
InChIInChI=1S/C18H35N/c1-5-18(3,4)16-10-12-17(13-11-16)19-14(2)15-8-6-7-9-15/h14-17,19H,5-13H2,1-4H3/t14-,16?,17?/m1/s1
InChIKeyJTWTZLJMQPHRNP-ODIFPOPNSA-N
MW265.48 g/mol
LogP5.15
Rot. Bonds5

About N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 81396402) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID81396402
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N[C@H](C)C2CCCC2)CC1
InChIInChI=1S/C18H35N/c1-5-18(3,4)16-10-12-17(13-11-16)19-14(2)15-8-6-7-9-15/h14-17,19H,5-13H2,1-4H3/t14-,16?,17?/m1/s1
InChIKeyJTWTZLJMQPHRNP-ODIFPOPNSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylpropyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64917545
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415159
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43672319
N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43778904
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 81396402) is N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N[C@H](C)C2CCCC2)CC1.
What is the InChIKey of N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is JTWTZLJMQPHRNP-ODIFPOPNSA-N. The full InChI is InChI=1S/C18H35N/c1-5-18(3,4)16-10-12-17(13-11-16)19-14(2)15-8-6-7-9-15/h14-17,19H,5-13H2,1-4H3/t14-,16?,17?/m1/s1.
What are the key properties of N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 81396402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).