1-(3-methylbutan-2-yl)cycloheptan-1-amine

C12H25N — CID 130632001

IUPAC1-(3-methylbutan-2-yl)cycloheptan-1-amine
SMILESCC(C)C(C)C1(N)CCCCCC1
InChIInChI=1S/C12H25N/c1-10(2)11(3)12(13)8-6-4-5-7-9-12/h10-11H,4-9,13H2,1-3H3
InChIKeyOFVJVSCVWIVMEA-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds2

About 1-(3-methylbutan-2-yl)cycloheptan-1-amine

1-(3-methylbutan-2-yl)cycloheptan-1-amine (PubChem CID 130632001) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)cycloheptan-1-amine
PubChem CID130632001
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(3-methylbutan-2-yl)cycloheptan-1-amine
SMILESCC(C)C(C)C1(N)CCCCCC1
InChIInChI=1S/C12H25N/c1-10(2)11(3)12(13)8-6-4-5-7-9-12/h10-11H,4-9,13H2,1-3H3
InChIKeyOFVJVSCVWIVMEA-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(3-methylbutan-2-yl)cycloheptan-1-amine (CID 130632001) is 1-(3-methylbutan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(3-methylbutan-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(3-methylbutan-2-yl)cycloheptan-1-amine is CC(C)C(C)C1(N)CCCCCC1.
What is the InChIKey of 1-(3-methylbutan-2-yl)cycloheptan-1-amine?
The InChIKey is OFVJVSCVWIVMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)11(3)12(13)8-6-4-5-7-9-12/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-(3-methylbutan-2-yl)cycloheptan-1-amine?
1-(3-methylbutan-2-yl)cycloheptan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 130632001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).