3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine

C8H14N2 — CID 139491920

IUPAC3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine
SMILESC=C/C=C\N=C(/C)CCN
InChIInChI=1S/C8H14N2/c1-3-4-7-10-8(2)5-6-9/h3-4,7H,1,5-6,9H2,2H3/b7-4-,10-8+
InChIKeyVUJWMLFWYVRPAO-WIXOJMCHSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds4

About 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine

3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine (PubChem CID 139491920) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine
PubChem CID139491920
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine
SMILESC=C/C=C\N=C(/C)CCN
InChIInChI=1S/C8H14N2/c1-3-4-7-10-8(2)5-6-9/h3-4,7H,1,5-6,9H2,2H3/b7-4-,10-8+
InChIKeyVUJWMLFWYVRPAO-WIXOJMCHSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(Z)-prop-1-enyl]butane-2,3-diimine
CID 89989590
4-[(Z)-prop-1-enyl]iminopentan-2-amine
CID 90051371
2-[(Z)-prop-1-enyl]iminopropan-1-amine
CID 129201436
2-[(E)-prop-1-enyl]iminopentan-1-amine
CID 130181341
3-[(1Z)-buta-1,3-dienyl]iminopent-4-en-1-amine
CID 134566416
ethane;2-[(Z)-prop-1-enyl]iminopropan-1-amine
CID 142050669
2-[(1Z)-buta-1,3-dienyl]iminopropan-1-amine
CID 142383188
ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine
CID 143985550
3-[(E)-but-1-enyl]iminopent-4-en-1-amine
CID 145011933
3-[(Z)-prop-1-enyl]iminopentane-1,1-diamine
CID 145694138
N-methyl-2-[(Z)-prop-1-enyl]iminobutan-1-amine
CID 155204773
(3Z)-4-(propan-2-ylideneamino)buta-1,3-dien-2-amine
CID 155276527

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine (CID 139491920) is 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine is C=C/C=C\N=C(/C)CCN.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine?
The InChIKey is VUJWMLFWYVRPAO-WIXOJMCHSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-7-10-8(2)5-6-9/h3-4,7H,1,5-6,9H2,2H3/b7-4-,10-8+.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine?
3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]iminobutan-1-amine is sourced from PubChem (CID 139491920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).