N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine

C9H18N2 — CID 126762207

IUPACN-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
SMILESCCC/C=C\N=C(/C)CNC
InChIInChI=1S/C9H18N2/c1-4-5-6-7-11-9(2)8-10-3/h6-7,10H,4-5,8H2,1-3H3/b7-6-,11-9+
InChIKeyMELIXNJGLOQAJJ-SXWITGCCSA-N
MW154.26 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine

N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine (PubChem CID 126762207) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
PubChem CID126762207
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
SMILESCCC/C=C\N=C(/C)CNC
InChIInChI=1S/C9H18N2/c1-4-5-6-7-11-9(2)8-10-3/h6-7,10H,4-5,8H2,1-3H3/b7-6-,11-9+
InChIKeyMELIXNJGLOQAJJ-SXWITGCCSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-methyl-2-[(Z)-pent-1-enyl]iminopropan-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-2-[(Z)-pent-1-enyl]iminopropan-1-amine?
The IUPAC name of N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine (CID 126762207) is N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine.
What is the SMILES notation for N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine?
The canonical SMILES for N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine is CCC/C=C\N=C(/C)CNC.
What is the InChIKey of N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine?
The InChIKey is MELIXNJGLOQAJJ-SXWITGCCSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-7-11-9(2)8-10-3/h6-7,10H,4-5,8H2,1-3H3/b7-6-,11-9+.
What are the key properties of N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine?
N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine is sourced from PubChem (CID 126762207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).