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

C12H25N — CID 90700569

IUPAC1-(2-methylbutan-2-yl)cycloheptan-1-amine
SMILESCCC(C)(C)C1(N)CCCCCC1
InChIInChI=1S/C12H25N/c1-4-11(2,3)12(13)9-7-5-6-8-10-12/h4-10,13H2,1-3H3
InChIKeyRLOYANFKIDQTAS-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.47
Rot. Bonds2

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

1-(2-methylbutan-2-yl)cycloheptan-1-amine (PubChem CID 90700569) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)cycloheptan-1-amine
PubChem CID90700569
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(2-methylbutan-2-yl)cycloheptan-1-amine
SMILESCCC(C)(C)C1(N)CCCCCC1
InChIInChI=1S/C12H25N/c1-4-11(2,3)12(13)9-7-5-6-8-10-12/h4-10,13H2,1-3H3
InChIKeyRLOYANFKIDQTAS-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(2-methylbutan-2-yl)cycloheptan-1-amine (CID 90700569) is 1-(2-methylbutan-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(2-methylbutan-2-yl)cycloheptan-1-amine is CCC(C)(C)C1(N)CCCCCC1.
What is the InChIKey of 1-(2-methylbutan-2-yl)cycloheptan-1-amine?
The InChIKey is RLOYANFKIDQTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-11(2,3)12(13)9-7-5-6-8-10-12/h4-10,13H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)cycloheptan-1-amine?
1-(2-methylbutan-2-yl)cycloheptan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 90700569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).