2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine

C13H23N — CID 81028351

IUPAC2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
SMILESC#CCC1CCCC1CNCC(C)C
InChIInChI=1S/C13H23N/c1-4-6-12-7-5-8-13(12)10-14-9-11(2)3/h1,11-14H,5-10H2,2-3H3
InChIKeyCTFFJKMMLGYSBV-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine

2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine (PubChem CID 81028351) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
PubChem CID81028351
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
SMILESC#CCC1CCCC1CNCC(C)C
InChIInChI=1S/C13H23N/c1-4-6-12-7-5-8-13(12)10-14-9-11(2)3/h1,11-14H,5-10H2,2-3H3
InChIKeyCTFFJKMMLGYSBV-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-but-2-ynylcycloheptyl)methyl]-2-methylpropan-1-amine
CID 81025136
N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114190488
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114210659
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine (CID 81028351) is 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine is C#CCC1CCCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine?
The InChIKey is CTFFJKMMLGYSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-12-7-5-8-13(12)10-14-9-11(2)3/h1,11-14H,5-10H2,2-3H3.
What are the key properties of 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine?
2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 81028351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).