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

C7H12N2 — CID 142031575

IUPAC(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine
SMILESC=C/C=N/C(=C\C)CN
InChIInChI=1S/C7H12N2/c1-3-5-9-7(4-2)6-8/h3-5H,1,6,8H2,2H3/b7-4-,9-5+
InChIKeyJZDARSZEUVSQSW-ICDOWURLSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds3

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

(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine (PubChem CID 142031575) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine
PubChem CID142031575
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine
SMILESC=C/C=N/C(=C\C)CN
InChIInChI=1S/C7H12N2/c1-3-5-9-7(4-2)6-8/h3-5H,1,6,8H2,2H3/b7-4-,9-5+
InChIKeyJZDARSZEUVSQSW-ICDOWURLSA-N
XLogP1.11
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 ≤ 51.11
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

(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
butane;N-prop-1-en-2-ylprop-2-en-1-imine
CID 144787234
N-pent-1-en-2-ylprop-2-en-1-imine
CID 142986997
N-(5-bromo-3-methylhepta-1,3,5-trien-2-yl)prop-2-en-1-imine
CID 123788081
(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine
CID 170195275
(Z)-N-ethyl-1-(prop-2-enylideneamino)-N-propylprop-1-en-1-amine
CID 174008881
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
prop-2-enylidenecarbamic acid
CID 175459397
N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine
CID 175480907
1-methyl-3-prop-2-enylideneurea
CID 91455060
[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten
CID 171733590
ethane;N'-ethenyl-N-prop-2-enylideneethanimidamide
CID 144981959

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine?
The IUPAC name of (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine (CID 142031575) is (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine.
What is the SMILES notation for (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine?
The canonical SMILES for (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine is C=C/C=N/C(=C\C)CN.
What is the InChIKey of (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine?
The InChIKey is JZDARSZEUVSQSW-ICDOWURLSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-7(4-2)6-8/h3-5H,1,6,8H2,2H3/b7-4-,9-5+.
What are the key properties of (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine?
(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(prop-2-enylideneamino)but-2-en-1-amine is sourced from PubChem (CID 142031575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).