3-(ethylideneamino)propan-1-amine

C5H12N2 — CID 54107040

IUPAC3-(ethylideneamino)propan-1-amine
SMILESC/C=N/CCCN
InChIInChI=1S/C5H12N2/c1-2-7-5-3-4-6/h2H,3-6H2,1H3/b7-2+
InChIKeyNELWNBXLIWSOOQ-FARCUNLSSA-N
MW100.16 g/mol
LogP0.43
Rot. Bonds3

About 3-(ethylideneamino)propan-1-amine

3-(ethylideneamino)propan-1-amine (PubChem CID 54107040) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-(ethylideneamino)propan-1-amine.

Molecular Properties

Compound Name3-(ethylideneamino)propan-1-amine
PubChem CID54107040
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name3-(ethylideneamino)propan-1-amine
SMILESC/C=N/CCCN
InChIInChI=1S/C5H12N2/c1-2-7-5-3-4-6/h2H,3-6H2,1H3/b7-2+
InChIKeyNELWNBXLIWSOOQ-FARCUNLSSA-N
XLogP0.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylideneamino)propan-1-amine?
The IUPAC name of 3-(ethylideneamino)propan-1-amine (CID 54107040) is 3-(ethylideneamino)propan-1-amine.
What is the SMILES notation for 3-(ethylideneamino)propan-1-amine?
The canonical SMILES for 3-(ethylideneamino)propan-1-amine is C/C=N/CCCN.
What is the InChIKey of 3-(ethylideneamino)propan-1-amine?
The InChIKey is NELWNBXLIWSOOQ-FARCUNLSSA-N. The full InChI is InChI=1S/C5H12N2/c1-2-7-5-3-4-6/h2H,3-6H2,1H3/b7-2+.
What are the key properties of 3-(ethylideneamino)propan-1-amine?
3-(ethylideneamino)propan-1-amine has a molecular weight of 100.16 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylideneamino)propan-1-amine is sourced from PubChem (CID 54107040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).