N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine

C9H18N2 — CID 58440442

IUPACN-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine
SMILESC=C1CCCN1CCCNC
InChIInChI=1S/C9H18N2/c1-9-5-3-7-11(9)8-4-6-10-2/h10H,1,3-8H2,2H3
InChIKeyZTBQYBLYBGZPNF-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.21
Rot. Bonds4

About N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine

N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine (PubChem CID 58440442) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine
PubChem CID58440442
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine
SMILESC=C1CCCN1CCCNC
InChIInChI=1S/C9H18N2/c1-9-5-3-7-11(9)8-4-6-10-2/h10H,1,3-8H2,2H3
InChIKeyZTBQYBLYBGZPNF-UHFFFAOYSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-(2-methylidenepyrrolidin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine (CID 58440442) is N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine is C=C1CCCN1CCCNC.
What is the InChIKey of N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine?
The InChIKey is ZTBQYBLYBGZPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9-5-3-7-11(9)8-4-6-10-2/h10H,1,3-8H2,2H3.
What are the key properties of N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine?
N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylidenepyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 58440442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).