1-(3,3-dimethylbutyl)cycloheptan-1-amine

C13H27N — CID 62622521

IUPAC1-(3,3-dimethylbutyl)cycloheptan-1-amine
SMILESCC(C)(C)CCC1(N)CCCCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)10-11-13(14)8-6-4-5-7-9-13/h4-11,14H2,1-3H3
InChIKeyIIAQHHQGRRATPZ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.86
Rot. Bonds2

About 1-(3,3-dimethylbutyl)cycloheptan-1-amine

1-(3,3-dimethylbutyl)cycloheptan-1-amine (PubChem CID 62622521) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)cycloheptan-1-amine
PubChem CID62622521
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(3,3-dimethylbutyl)cycloheptan-1-amine
SMILESCC(C)(C)CCC1(N)CCCCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)10-11-13(14)8-6-4-5-7-9-13/h4-11,14H2,1-3H3
InChIKeyIIAQHHQGRRATPZ-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,3-dimethylbutyl)oxan-4-amine
CID 63220278
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
1-(3,3-dimethylbutyl)cycloheptan-1-ol
CID 65147849
1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
CID 131097625
1-(2-tert-butylsulfonylethyl)cyclohexan-1-amine
CID 106733843
1-(2-tert-butylsulfonylethyl)cyclooctan-1-amine
CID 106734177
1-butylcyclohexan-1-amine
CID 13182498
azane;1-propylcyclopentan-1-amine
CID 118268242
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-heptylcycloheptan-1-amine
CID 63407607
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)cycloheptan-1-amine?
The IUPAC name of 1-(3,3-dimethylbutyl)cycloheptan-1-amine (CID 62622521) is 1-(3,3-dimethylbutyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)cycloheptan-1-amine?
The canonical SMILES for 1-(3,3-dimethylbutyl)cycloheptan-1-amine is CC(C)(C)CCC1(N)CCCCCC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)cycloheptan-1-amine?
The InChIKey is IIAQHHQGRRATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)10-11-13(14)8-6-4-5-7-9-13/h4-11,14H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)cycloheptan-1-amine?
1-(3,3-dimethylbutyl)cycloheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)cycloheptan-1-amine is sourced from PubChem (CID 62622521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).