3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine

C15H31N — CID 112681822

IUPAC3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H31N/c1-6-7-8-9-16-13-10-14(2,3)12-15(4,5)11-13/h13,16H,6-12H2,1-5H3
InChIKeyNXLVDFQZDNCDEU-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds5

About 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine

3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine (PubChem CID 112681822) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
PubChem CID112681822
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
SMILESCCCCCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H31N/c1-6-7-8-9-16-13-10-14(2,3)12-15(4,5)11-13/h13,16H,6-12H2,1-5H3
InChIKeyNXLVDFQZDNCDEU-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
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-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine
CID 158648176
CID 101119102
CID 101119102
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966111
N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3,3,5,5-tetramethyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 103991395
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
CID 104807528
N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
CID 151904860

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine (CID 112681822) is 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine is CCCCCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine?
The InChIKey is NXLVDFQZDNCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-7-8-9-16-13-10-14(2,3)12-15(4,5)11-13/h13,16H,6-12H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine?
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine is sourced from PubChem (CID 112681822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).