3-(3-aminoprop-1-enylimino)propan-1-amine

C6H13N3 — CID 54439572

IUPAC3-(3-aminoprop-1-enylimino)propan-1-amine
SMILESNCC=C/N=C/CCN
InChIInChI=1S/C6H13N3/c7-3-1-5-9-6-2-4-8/h1,5-6H,2-4,7-8H2/b5-1?,9-6+
InChIKeyWNCYTAYYIWDDND-DQHFCXLQSA-N
MW127.19 g/mol
LogP-0.12
Rot. Bonds4

About 3-(3-aminoprop-1-enylimino)propan-1-amine

3-(3-aminoprop-1-enylimino)propan-1-amine (PubChem CID 54439572) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(3-aminoprop-1-enylimino)propan-1-amine.

Molecular Properties

Compound Name3-(3-aminoprop-1-enylimino)propan-1-amine
PubChem CID54439572
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-(3-aminoprop-1-enylimino)propan-1-amine
SMILESNCC=C/N=C/CCN
InChIInChI=1S/C6H13N3/c7-3-1-5-9-6-2-4-8/h1,5-6H,2-4,7-8H2/b5-1?,9-6+
InChIKeyWNCYTAYYIWDDND-DQHFCXLQSA-N
XLogP-0.12
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dihydropyridin-4-amine
CID 53872884
3H-pyrrol-3-amine
CID 55284676
2,5-dihydro-1H-1,4-diazepine
CID 58550589
2,7-dihydro-1H-1,4-diazepine
CID 58550590
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
2-methyl-2,5-dihydro-1H-1,4-diazepine
CID 68099663
1,4-Dihydro-1,5-diazocine
CID 69641589
3-Methyliminoprop-1-en-1-amine
CID 72522918
(Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine
CID 88586125
(Z)-3-propyliminoprop-1-en-1-amine
CID 88976127
(1E)-1-(ethylideneamino)buta-1,3-dien-2-amine
CID 88994956
(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine
CID 89036298

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-enylimino)propan-1-amine?
The IUPAC name of 3-(3-aminoprop-1-enylimino)propan-1-amine (CID 54439572) is 3-(3-aminoprop-1-enylimino)propan-1-amine.
What is the SMILES notation for 3-(3-aminoprop-1-enylimino)propan-1-amine?
The canonical SMILES for 3-(3-aminoprop-1-enylimino)propan-1-amine is NCC=C/N=C/CCN.
What is the InChIKey of 3-(3-aminoprop-1-enylimino)propan-1-amine?
The InChIKey is WNCYTAYYIWDDND-DQHFCXLQSA-N. The full InChI is InChI=1S/C6H13N3/c7-3-1-5-9-6-2-4-8/h1,5-6H,2-4,7-8H2/b5-1?,9-6+.
What are the key properties of 3-(3-aminoprop-1-enylimino)propan-1-amine?
3-(3-aminoprop-1-enylimino)propan-1-amine has a molecular weight of 127.19 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-enylimino)propan-1-amine is sourced from PubChem (CID 54439572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).