(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine

C7H12N2 — CID 174251744

IUPAC(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine
SMILESC/C=C/N=C/C(N)=C\C
InChIInChI=1S/C7H12N2/c1-3-5-9-6-7(8)4-2/h3-6H,8H2,1-2H3/b5-3+,7-4+,9-6+
InChIKeyBSCKOFXICJGPRQ-WFEBKMNNSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine

(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine (PubChem CID 174251744) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine
PubChem CID174251744
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine
SMILESC/C=C/N=C/C(N)=C\C
InChIInChI=1S/C7H12N2/c1-3-5-9-6-7(8)4-2/h3-6H,8H2,1-2H3/b5-3+,7-4+,9-6+
InChIKeyBSCKOFXICJGPRQ-WFEBKMNNSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(Z)-prop-1-enyl]iminoethylideneamino]prop-1-en-2-amine
CID 173467114
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 142072925
(2E)-2-ethylidene-N-[(Z)-prop-1-enyl]pent-4-en-1-imine
CID 143654384
(E)-2-ethyl-N-prop-1-enylhex-2-en-1-imine
CID 177356967
1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 118671214
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclopropanecarboxamide
CID 143916021
(3Z)-1,1,1-trifluoro-5-[[(Z)-prop-1-enyl]iminomethyl]hexa-3,5-diene-2,2,4-triol
CID 162586754
2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide
CID 154121266
(Z)-2-(6-methylnaphthalen-2-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 143688490
ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium
CID 143659410

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine?
The IUPAC name of (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine (CID 174251744) is (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine.
What is the SMILES notation for (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine?
The canonical SMILES for (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine is C/C=C/N=C/C(N)=C\C.
What is the InChIKey of (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine?
The InChIKey is BSCKOFXICJGPRQ-WFEBKMNNSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-9-6-7(8)4-2/h3-6H,8H2,1-2H3/b5-3+,7-4+,9-6+.
What are the key properties of (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine?
(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine is sourced from PubChem (CID 174251744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).