1-cyclobutyl-N,5,5-trimethylhexan-2-amine

C13H27N — CID 103168554

IUPAC1-cyclobutyl-N,5,5-trimethylhexan-2-amine
SMILESCNC(CCC(C)(C)C)CC1CCC1
InChIInChI=1S/C13H27N/c1-13(2,3)9-8-12(14-4)10-11-6-5-7-11/h11-12,14H,5-10H2,1-4H3
InChIKeyVFGKLXQTTWIIPZ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About 1-cyclobutyl-N,5,5-trimethylhexan-2-amine

1-cyclobutyl-N,5,5-trimethylhexan-2-amine (PubChem CID 103168554) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-cyclobutyl-N,5,5-trimethylhexan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N,5,5-trimethylhexan-2-amine
PubChem CID103168554
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-cyclobutyl-N,5,5-trimethylhexan-2-amine
SMILESCNC(CCC(C)(C)C)CC1CCC1
InChIInChI=1S/C13H27N/c1-13(2,3)9-8-12(14-4)10-11-6-5-7-11/h11-12,14H,5-10H2,1-4H3
InChIKeyVFGKLXQTTWIIPZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-N,6,6-trimethylheptan-2-amine
CID 114211051
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclobutyl-5-ethoxy-N-methylpentan-2-amine
CID 105151604
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326
1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
1-cyclobutyl-N,4-dimethylpent-4-en-2-amine
CID 103169029
1-cyclohexyl-5-ethoxy-N-methylpentan-2-amine
CID 105135620
N,4,4-trimethyl-1-(2-methylcyclopentyl)pentan-1-amine
CID 107188477

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N,5,5-trimethylhexan-2-amine?
The IUPAC name of 1-cyclobutyl-N,5,5-trimethylhexan-2-amine (CID 103168554) is 1-cyclobutyl-N,5,5-trimethylhexan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N,5,5-trimethylhexan-2-amine?
The canonical SMILES for 1-cyclobutyl-N,5,5-trimethylhexan-2-amine is CNC(CCC(C)(C)C)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N,5,5-trimethylhexan-2-amine?
The InChIKey is VFGKLXQTTWIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-13(2,3)9-8-12(14-4)10-11-6-5-7-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-cyclobutyl-N,5,5-trimethylhexan-2-amine?
1-cyclobutyl-N,5,5-trimethylhexan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N,5,5-trimethylhexan-2-amine is sourced from PubChem (CID 103168554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).