3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine

C16H33N — CID 64745213

IUPAC3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(NC(C)(C)CC(C)(C)C)CC1C
InChIInChI=1S/C16H33N/c1-12-8-9-14(10-13(12)2)17-16(6,7)11-15(3,4)5/h12-14,17H,8-11H2,1-7H3
InChIKeyVWKAJZGDFIBQMF-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds3

About 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine

3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine (PubChem CID 64745213) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
PubChem CID64745213
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(NC(C)(C)CC(C)(C)C)CC1C
InChIInChI=1S/C16H33N/c1-12-8-9-14(10-13(12)2)17-16(6,7)11-15(3,4)5/h12-14,17H,8-11H2,1-7H3
InChIKeyVWKAJZGDFIBQMF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine (CID 64745213) is 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine is CC1CCC(NC(C)(C)CC(C)(C)C)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The InChIKey is VWKAJZGDFIBQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12-8-9-14(10-13(12)2)17-16(6,7)11-15(3,4)5/h12-14,17H,8-11H2,1-7H3.
What are the key properties of 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64745213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).