N-(ethylideneamino)propan-2-amine

C5H12N2 — CID 558979

IUPACN-(ethylideneamino)propan-2-amine
SMILESCC=NNC(C)C
InChIInChI=1S/C5H12N2/c1-4-6-7-5(2)3/h4-5,7H,1-3H3
InChIKeyCHDZJJJPEGMSAM-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.99
Rot. Bonds2

About N-(ethylideneamino)propan-2-amine

N-(ethylideneamino)propan-2-amine (PubChem CID 558979) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-(ethylideneamino)propan-2-amine.

Molecular Properties

Compound NameN-(ethylideneamino)propan-2-amine
PubChem CID558979
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-(ethylideneamino)propan-2-amine
SMILESCC=NNC(C)C
InChIInChI=1S/C5H12N2/c1-4-6-7-5(2)3/h4-5,7H,1-3H3
InChIKeyCHDZJJJPEGMSAM-UHFFFAOYSA-N
XLogP0.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(ethylideneamino)propan-2-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

5-methyl-4,5-dihydro-1H-pyrazole
CID 549780
Acetaldehyde, ethylhydrazone
CID 89342
2-Propanone, propylhydrazone
CID 139018
2-Propanone, (1-methylethyl)hydrazone
CID 139019
Acetone ethylhydrazone
CID 544861
Acetaldehyde n-butylhydrazone
CID 551171
Acetaldehyde n-propylhydrazone
CID 551172
Isobutyraldehyde ethylhydrazone
CID 567442
5-ethyl-4,5-dihydro-1H-pyrazole
CID 17799937
Propionaldehyde isopropylhydrazone
CID 567189
Methanal, isopropylhydrazone
CID 22121732
(1E)-Ethanal ethylhydrazone
CID 9601790

Frequently Asked Questions

What is the IUPAC name of N-(ethylideneamino)propan-2-amine?
The IUPAC name of N-(ethylideneamino)propan-2-amine (CID 558979) is N-(ethylideneamino)propan-2-amine.
What is the SMILES notation for N-(ethylideneamino)propan-2-amine?
The canonical SMILES for N-(ethylideneamino)propan-2-amine is CC=NNC(C)C.
What is the InChIKey of N-(ethylideneamino)propan-2-amine?
The InChIKey is CHDZJJJPEGMSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-6-7-5(2)3/h4-5,7H,1-3H3.
What are the key properties of N-(ethylideneamino)propan-2-amine?
N-(ethylideneamino)propan-2-amine has a molecular weight of 100.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)propan-2-amine is sourced from PubChem (CID 558979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).