1-(3,3,5-trimethylcyclohexyl)butan-1-amine

C13H27N — CID 83048656

IUPAC1-(3,3,5-trimethylcyclohexyl)butan-1-amine
SMILESCCCC(N)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27N/c1-5-6-12(14)11-7-10(2)8-13(3,4)9-11/h10-12H,5-9,14H2,1-4H3
InChIKeyOZDZBIVVNYYICB-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds3

About 1-(3,3,5-trimethylcyclohexyl)butan-1-amine

1-(3,3,5-trimethylcyclohexyl)butan-1-amine (PubChem CID 83048656) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(3,3,5-trimethylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name1-(3,3,5-trimethylcyclohexyl)butan-1-amine
PubChem CID83048656
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(3,3,5-trimethylcyclohexyl)butan-1-amine
SMILESCCCC(N)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27N/c1-5-6-12(14)11-7-10(2)8-13(3,4)9-11/h10-12H,5-9,14H2,1-4H3
InChIKeyOZDZBIVVNYYICB-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5-trimethylcyclohexyl)butan-1-amine?
The IUPAC name of 1-(3,3,5-trimethylcyclohexyl)butan-1-amine (CID 83048656) is 1-(3,3,5-trimethylcyclohexyl)butan-1-amine.
What is the SMILES notation for 1-(3,3,5-trimethylcyclohexyl)butan-1-amine?
The canonical SMILES for 1-(3,3,5-trimethylcyclohexyl)butan-1-amine is CCCC(N)C1CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(3,3,5-trimethylcyclohexyl)butan-1-amine?
The InChIKey is OZDZBIVVNYYICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-12(14)11-7-10(2)8-13(3,4)9-11/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 1-(3,3,5-trimethylcyclohexyl)butan-1-amine?
1-(3,3,5-trimethylcyclohexyl)butan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5-trimethylcyclohexyl)butan-1-amine is sourced from PubChem (CID 83048656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).