(1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine

C11H18N2 — CID 146260499

IUPAC(1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine
SMILESC/C=C\N=C\C=C(/C=C/N)C(C)C
InChIInChI=1S/C11H18N2/c1-4-8-13-9-6-11(5-7-12)10(2)3/h4-10H,12H2,1-3H3/b7-5+,8-4-,11-6+,13-9+
InChIKeySXUYPFSEGIBBEO-AEJHPLKSSA-N
MW178.28 g/mol
LogP2.65
Rot. Bonds4

About (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine

(1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine (PubChem CID 146260499) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine
PubChem CID146260499
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine
SMILESC/C=C\N=C\C=C(/C=C/N)C(C)C
InChIInChI=1S/C11H18N2/c1-4-8-13-9-6-11(5-7-12)10(2)3/h4-10H,12H2,1-3H3/b7-5+,8-4-,11-6+,13-9+
InChIKeySXUYPFSEGIBBEO-AEJHPLKSSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine (CID 146260499) is (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine is C/C=C\N=C\C=C(/C=C/N)C(C)C.
What is the InChIKey of (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine?
The InChIKey is SXUYPFSEGIBBEO-AEJHPLKSSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-8-13-9-6-11(5-7-12)10(2)3/h4-10H,12H2,1-3H3/b7-5+,8-4-,11-6+,13-9+.
What are the key properties of (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine?
(1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-propan-2-yl-5-[(Z)-prop-1-enyl]iminopenta-1,3-dien-1-amine is sourced from PubChem (CID 146260499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).