1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine

C16H33N — CID 114246446

IUPAC1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine
SMILESCCCCC(C)C(NC)C1CC(C)CC(C)C1
InChIInChI=1S/C16H33N/c1-6-7-8-14(4)16(17-5)15-10-12(2)9-13(3)11-15/h12-17H,6-11H2,1-5H3
InChIKeyRDFXRPZTLMUXRH-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds6

About 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine

1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine (PubChem CID 114246446) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine
PubChem CID114246446
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine
SMILESCCCCC(C)C(NC)C1CC(C)CC(C)C1
InChIInChI=1S/C16H33N/c1-6-7-8-14(4)16(17-5)15-10-12(2)9-13(3)11-15/h12-17H,6-11H2,1-5H3
InChIKeyRDFXRPZTLMUXRH-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
CID 104989051
N-methyl-1-(3-methylcyclobutyl)ethanamine
CID 103565343
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104988659
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
N,2-dimethyl-1-(4-propan-2-ylcyclohexyl)butan-1-amine
CID 79446345
1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
CID 107893901
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
CID 64734397
N-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536
1-methyl-3-(4-methylheptan-3-yl)cyclobutane
CID 123570171

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine (CID 114246446) is 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine is CCCCC(C)C(NC)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine?
The InChIKey is RDFXRPZTLMUXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-7-8-14(4)16(17-5)15-10-12(2)9-13(3)11-15/h12-17H,6-11H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine?
1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine is sourced from PubChem (CID 114246446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).