N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine

C8H18N2 — CID 89360277

IUPACN'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine
SMILESC/C=C\CCN(CC)CN
InChIInChI=1S/C8H18N2/c1-3-5-6-7-10(4-2)8-9/h3,5H,4,6-9H2,1-2H3/b5-3-
InChIKeyCJBYKSONGZXTRT-HYXAFXHYSA-N
MW142.25 g/mol
LogP1.19
Rot. Bonds5

About N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine

N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine (PubChem CID 89360277) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine
PubChem CID89360277
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine
SMILESC/C=C\CCN(CC)CN
InChIInChI=1S/C8H18N2/c1-3-5-6-7-10(4-2)8-9/h3,5H,4,6-9H2,1-2H3/b5-3-
InChIKeyCJBYKSONGZXTRT-HYXAFXHYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine 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'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine?
The IUPAC name of N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine (CID 89360277) is N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine.
What is the SMILES notation for N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine?
The canonical SMILES for N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine is C/C=C\CCN(CC)CN.
What is the InChIKey of N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine?
The InChIKey is CJBYKSONGZXTRT-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-5-6-7-10(4-2)8-9/h3,5H,4,6-9H2,1-2H3/b5-3-.
What are the key properties of N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine?
N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine has a molecular weight of 142.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine is sourced from PubChem (CID 89360277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).