1-cyclohexyl-3,3-dimethylbutan-2-amine

C12H25N — CID 54593638

IUPAC1-cyclohexyl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CC1CCCCC1
InChIInChI=1S/C12H25N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyFEWAYFMACVGCPY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds2

About 1-cyclohexyl-3,3-dimethylbutan-2-amine

1-cyclohexyl-3,3-dimethylbutan-2-amine (PubChem CID 54593638) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3,3-dimethylbutan-2-amine
PubChem CID54593638
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclohexyl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CC1CCCCC1
InChIInChI=1S/C12H25N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyFEWAYFMACVGCPY-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-cyclohexyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-3,3-dimethylbutan-2-amine (CID 54593638) is 1-cyclohexyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3-dimethylbutan-2-amine?
The InChIKey is FEWAYFMACVGCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-cyclohexyl-3,3-dimethylbutan-2-amine?
1-cyclohexyl-3,3-dimethylbutan-2-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-cyclohexyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 54593638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).