(Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine

C7H12N2 — CID 143495575

IUPAC(Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
SMILESC=C/C=N\C(N)=C/CC
InChIInChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h4-6H,2-3,8H2,1H3/b7-5-,9-6-
InChIKeyZEEZDPAPLZOHGU-BSIYMUDXSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds3

About (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine

(Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine (PubChem CID 143495575) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
PubChem CID143495575
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
SMILESC=C/C=N\C(N)=C/CC
InChIInChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h4-6H,2-3,8H2,1H3/b7-5-,9-6-
InChIKeyZEEZDPAPLZOHGU-BSIYMUDXSA-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

4H-azepin-2-amine
CID 15128281
(Z)-3-methyliminoprop-1-en-1-amine
CID 59122072
3-Methyliminoprop-1-en-1-amine
CID 72522918
(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)-3-propyliminoprop-1-en-1-amine
CID 88976127
(E)-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 88976713
N-[(Z)-but-1-enyl]prop-2-en-1-imine
CID 89175500
(E)-4-(ethylideneamino)but-3-en-1-amine
CID 89257831
2-(Prop-2-enylideneamino)ethene-1,1-diamine
CID 89293829
N'-[(Z)-but-1-enyl]ethane-1,2-diimine
CID 89425018

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
The IUPAC name of (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine (CID 143495575) is (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine.
What is the SMILES notation for (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
The canonical SMILES for (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine is C=C/C=N\C(N)=C/CC.
What is the InChIKey of (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
The InChIKey is ZEEZDPAPLZOHGU-BSIYMUDXSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-7(8)9-6-4-2/h4-6H,2-3,8H2,1H3/b7-5-,9-6-.
What are the key properties of (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine?
(Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-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 (Z)-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine is sourced from PubChem (CID 143495575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).