N-(4-methyldecan-4-yl)cyclohexanamine

C17H35N — CID 139320113

IUPACN-(4-methyldecan-4-yl)cyclohexanamine
SMILESCCCCCCC(C)(CCC)NC1CCCCC1
InChIInChI=1S/C17H35N/c1-4-6-7-11-15-17(3,14-5-2)18-16-12-9-8-10-13-16/h16,18H,4-15H2,1-3H3
InChIKeyAQEYCJUNXIMLCT-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.44
Rot. Bonds9

About N-(4-methyldecan-4-yl)cyclohexanamine

N-(4-methyldecan-4-yl)cyclohexanamine (PubChem CID 139320113) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(4-methyldecan-4-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(4-methyldecan-4-yl)cyclohexanamine
PubChem CID139320113
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-(4-methyldecan-4-yl)cyclohexanamine
SMILESCCCCCCC(C)(CCC)NC1CCCCC1
InChIInChI=1S/C17H35N/c1-4-6-7-11-15-17(3,14-5-2)18-16-12-9-8-10-13-16/h16,18H,4-15H2,1-3H3
InChIKeyAQEYCJUNXIMLCT-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine
CID 129254171
4-(2-aminoethyl)-N-(4-methylheptan-4-yl)cyclohexan-1-amine
CID 175630753
2-N-cyclopropyl-2-methylpentane-1,2-diamine
CID 62070858
N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine
CID 146436756
N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
CID 82937345
N-cyclohexylcyclohexanamine;hexan-1-amine
CID 158809778
N-(2-methylnonan-2-yl)piperidin-4-amine
CID 167126912
octylcyclotetradecane
CID 175261841

Frequently Asked Questions

What is the IUPAC name of N-(4-methyldecan-4-yl)cyclohexanamine?
The IUPAC name of N-(4-methyldecan-4-yl)cyclohexanamine (CID 139320113) is N-(4-methyldecan-4-yl)cyclohexanamine.
What is the SMILES notation for N-(4-methyldecan-4-yl)cyclohexanamine?
The canonical SMILES for N-(4-methyldecan-4-yl)cyclohexanamine is CCCCCCC(C)(CCC)NC1CCCCC1.
What is the InChIKey of N-(4-methyldecan-4-yl)cyclohexanamine?
The InChIKey is AQEYCJUNXIMLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-6-7-11-15-17(3,14-5-2)18-16-12-9-8-10-13-16/h16,18H,4-15H2,1-3H3.
What are the key properties of N-(4-methyldecan-4-yl)cyclohexanamine?
N-(4-methyldecan-4-yl)cyclohexanamine has a molecular weight of 253.47 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyldecan-4-yl)cyclohexanamine is sourced from PubChem (CID 139320113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).