N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C17H35N — CID 43778904

IUPACN-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCCCC(C)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H35N/c1-6-8-9-14(3)18-16-12-10-15(11-13-16)17(4,5)7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyMBMHUUWGDLUHFG-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds7

About N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43778904) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43778904
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCCCC(C)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H35N/c1-6-8-9-14(3)18-16-12-10-15(11-13-16)17(4,5)7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyMBMHUUWGDLUHFG-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788012
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43672319
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415159
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol
CID 783876
N-heptan-2-ylcycloheptanamine
CID 43082272
N-(1-cyclopropylpropyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64917545
4-(hexan-2-ylamino)cyclohexane-1-carboxamide
CID 43791674
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43778904) is N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCCCC(C)NC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is MBMHUUWGDLUHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-8-9-14(3)18-16-12-10-15(11-13-16)17(4,5)7-2/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43778904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).