2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine

C7H13N3 — CID 137493635

IUPAC2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine
SMILESC/C=N/C/C=C\N=C\CN
InChIInChI=1S/C7H13N3/c1-2-9-5-3-6-10-7-4-8/h2-3,6-7H,4-5,8H2,1H3/b6-3-,9-2+,10-7+
InChIKeyZCBZNLPMLTWXPK-SJTJHODFSA-N
MW139.20 g/mol
LogP0.62
Rot. Bonds4

About 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine

2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine (PubChem CID 137493635) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine.

Molecular Properties

Compound Name2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine
PubChem CID137493635
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine
SMILESC/C=N/C/C=C\N=C\CN
InChIInChI=1S/C7H13N3/c1-2-9-5-3-6-10-7-4-8/h2-3,6-7H,4-5,8H2,1H3/b6-3-,9-2+,10-7+
InChIKeyZCBZNLPMLTWXPK-SJTJHODFSA-N
XLogP0.62
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
3-(3-Aminoprop-1-enylimino)propan-1-amine
CID 54439572
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
dimethyl-[(E)-3-(methylamino)prop-2-enylidene]azanium
CID 59154262
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
Dimethyl-[3-(methylamino)prop-2-enylidene]azanium
CID 72542337

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine?
The IUPAC name of 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine (CID 137493635) is 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine.
What is the SMILES notation for 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine?
The canonical SMILES for 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine is C/C=N/C/C=C\N=C\CN.
What is the InChIKey of 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine?
The InChIKey is ZCBZNLPMLTWXPK-SJTJHODFSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-9-5-3-6-10-7-4-8/h2-3,6-7H,4-5,8H2,1H3/b6-3-,9-2+,10-7+.
What are the key properties of 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine?
2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(ethylideneamino)prop-1-enyl]iminoethanamine is sourced from PubChem (CID 137493635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).