2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine

C11H20N2 — CID 116680409

IUPAC2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCC(CNCC1CC1C)=C1CNC1
InChIInChI=1S/C11H20N2/c1-8-3-10(8)5-12-4-9(2)11-6-13-7-11/h8,10,12-13H,3-7H2,1-2H3
InChIKeyPCHDZYXOWMYIMW-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.15
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine

2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 116680409) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID116680409
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCC(CNCC1CC1C)=C1CNC1
InChIInChI=1S/C11H20N2/c1-8-3-10(8)5-12-4-9(2)11-6-13-7-11/h8,10,12-13H,3-7H2,1-2H3
InChIKeyPCHDZYXOWMYIMW-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)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

(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605478
2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 116680460
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide
CID 116677667
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
CID 113463807
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
1-(2-methylcyclopropyl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776216
1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 115686102
2,3-dimethyl-1-[(2-methylcyclopropyl)methylamino]butan-2-ol
CID 114493611
N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115684293

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine (CID 116680409) is 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine is CC(CNCC1CC1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is PCHDZYXOWMYIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-3-10(8)5-12-4-9(2)11-6-13-7-11/h8,10,12-13H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 116680409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).