(E)-1-(prop-2-enylideneamino)but-1-en-2-amine

C7H12N2 — CID 88976713

IUPAC(E)-1-(prop-2-enylideneamino)but-1-en-2-amine
SMILESC=C/C=N/C=C(/N)CC
InChIInChI=1S/C7H12N2/c1-3-5-9-6-7(8)4-2/h3,5-6H,1,4,8H2,2H3/b7-6+,9-5+
InChIKeyGBBPRHNKNKOKIK-CQCRHSALSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds3

About (E)-1-(prop-2-enylideneamino)but-1-en-2-amine

(E)-1-(prop-2-enylideneamino)but-1-en-2-amine (PubChem CID 88976713) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-1-(prop-2-enylideneamino)but-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(prop-2-enylideneamino)but-1-en-2-amine
PubChem CID88976713
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-1-(prop-2-enylideneamino)but-1-en-2-amine
SMILESC=C/C=N/C=C(/N)CC
InChIInChI=1S/C7H12N2/c1-3-5-9-6-7(8)4-2/h3,5-6H,1,4,8H2,2H3/b7-6+,9-5+
InChIKeyGBBPRHNKNKOKIK-CQCRHSALSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-methyliminobut-2-en-2-amine
CID 57781891
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
2-methyl-1H-1,4-diazepine
CID 67973247
3-Methyliminoprop-1-en-1-amine
CID 72522918
2-Methyl-1,5-diazocine
CID 76548114
4-Methyliminobut-2-en-2-amine
CID 76603952
3-[(Z)-2-aminoprop-1-enyl]iminobut-1-en-2-amine
CID 88216553
(Z)-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 88236263
(Z)-3-but-1-en-2-yliminoprop-1-en-1-amine
CID 88268688
(Z)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88594373
(Z)-N-[(E)-3-iminoprop-1-enyl]but-2-en-1-imine
CID 88875316
(Z)-2-(prop-2-enylideneamino)prop-1-en-1-amine
CID 88885354

Frequently Asked Questions

What is the IUPAC name of (E)-1-(prop-2-enylideneamino)but-1-en-2-amine?
The IUPAC name of (E)-1-(prop-2-enylideneamino)but-1-en-2-amine (CID 88976713) is (E)-1-(prop-2-enylideneamino)but-1-en-2-amine.
What is the SMILES notation for (E)-1-(prop-2-enylideneamino)but-1-en-2-amine?
The canonical SMILES for (E)-1-(prop-2-enylideneamino)but-1-en-2-amine is C=C/C=N/C=C(/N)CC.
What is the InChIKey of (E)-1-(prop-2-enylideneamino)but-1-en-2-amine?
The InChIKey is GBBPRHNKNKOKIK-CQCRHSALSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-6-7(8)4-2/h3,5-6H,1,4,8H2,2H3/b7-6+,9-5+.
What are the key properties of (E)-1-(prop-2-enylideneamino)but-1-en-2-amine?
(E)-1-(prop-2-enylideneamino)but-1-en-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(prop-2-enylideneamino)but-1-en-2-amine is sourced from PubChem (CID 88976713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).