2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine

C12H23N — CID 59822938

IUPAC2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine
SMILESC=C(NC(C)(C)C)C1CCC(C)C1
InChIInChI=1S/C12H23N/c1-9-6-7-11(8-9)10(2)13-12(3,4)5/h9,11,13H,2,6-8H2,1,3-5H3
InChIKeyNDQPGTNEPUVXMJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.32
Rot. Bonds2

About 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine

2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine (PubChem CID 59822938) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine
PubChem CID59822938
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine
SMILESC=C(NC(C)(C)C)C1CCC(C)C1
InChIInChI=1S/C12H23N/c1-9-6-7-11(8-9)10(2)13-12(3,4)5/h9,11,13H,2,6-8H2,1,3-5H3
InChIKeyNDQPGTNEPUVXMJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine (CID 59822938) is 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine is C=C(NC(C)(C)C)C1CCC(C)C1.
What is the InChIKey of 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine?
The InChIKey is NDQPGTNEPUVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9-6-7-11(8-9)10(2)13-12(3,4)5/h9,11,13H,2,6-8H2,1,3-5H3.
What are the key properties of 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine?
2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylcyclopentyl)ethenyl]propan-2-amine is sourced from PubChem (CID 59822938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).