N-(5,5-dimethylhexyl)cyclohexanamine

C14H29N — CID 58974848

IUPACN-(5,5-dimethylhexyl)cyclohexanamine
SMILESCC(C)(C)CCCCNC1CCCCC1
InChIInChI=1S/C14H29N/c1-14(2,3)11-7-8-12-15-13-9-5-4-6-10-13/h13,15H,4-12H2,1-3H3
InChIKeyZTTHQKGBFOZXHE-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.13
Rot. Bonds5

About N-(5,5-dimethylhexyl)cyclohexanamine

N-(5,5-dimethylhexyl)cyclohexanamine (PubChem CID 58974848) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)cyclohexanamine.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)cyclohexanamine
PubChem CID58974848
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(5,5-dimethylhexyl)cyclohexanamine
SMILESCC(C)(C)CCCCNC1CCCCC1
InChIInChI=1S/C14H29N/c1-14(2,3)11-7-8-12-15-13-9-5-4-6-10-13/h13,15H,4-12H2,1-3H3
InChIKeyZTTHQKGBFOZXHE-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.13
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-(6,6-dimethylheptyl)piperidin-4-amine
CID 170373818
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-dodecylcyclohexanamine
CID 3679395
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
N-(3-fluoro-3-methylbutyl)cyclohexanamine
CID 84661119
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939919
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-(5-methoxypentyl)cyclooctanamine
CID 115714847

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)cyclohexanamine?
The IUPAC name of N-(5,5-dimethylhexyl)cyclohexanamine (CID 58974848) is N-(5,5-dimethylhexyl)cyclohexanamine.
What is the SMILES notation for N-(5,5-dimethylhexyl)cyclohexanamine?
The canonical SMILES for N-(5,5-dimethylhexyl)cyclohexanamine is CC(C)(C)CCCCNC1CCCCC1.
What is the InChIKey of N-(5,5-dimethylhexyl)cyclohexanamine?
The InChIKey is ZTTHQKGBFOZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-14(2,3)11-7-8-12-15-13-9-5-4-6-10-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-(5,5-dimethylhexyl)cyclohexanamine?
N-(5,5-dimethylhexyl)cyclohexanamine has a molecular weight of 211.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)cyclohexanamine is sourced from PubChem (CID 58974848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).