2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine

C12H23N — CID 21364076

IUPAC2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine
SMILESCC1=C(NC(C)C(C)C)CCCC1
InChIInChI=1S/C12H23N/c1-9(2)11(4)13-12-8-6-5-7-10(12)3/h9,11,13H,5-8H2,1-4H3
InChIKeyOIIAXVFNOLGISE-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine

2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine (PubChem CID 21364076) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine
PubChem CID21364076
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine
SMILESCC1=C(NC(C)C(C)C)CCCC1
InChIInChI=1S/C12H23N/c1-9(2)11(4)13-12-8-6-5-7-10(12)3/h9,11,13H,5-8H2,1-4H3
InChIKeyOIIAXVFNOLGISE-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine?
The IUPAC name of 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine (CID 21364076) is 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine is CC1=C(NC(C)C(C)C)CCCC1.
What is the InChIKey of 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine?
The InChIKey is OIIAXVFNOLGISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)11(4)13-12-8-6-5-7-10(12)3/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine?
2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutan-2-yl)cyclohexen-1-amine is sourced from PubChem (CID 21364076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).