(1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine

C19H29N3 — CID 176668390

IUPAC(1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine
SMILESC=CC(C=C)/N=C(\C=C/N)C(=C)NC(C=C)C1CCCCC1
InChIInChI=1S/C19H29N3/c1-5-17(6-2)22-19(13-14-20)15(4)21-18(7-3)16-11-9-8-10-12-16/h5-7,13-14,16-18,21H,1-4,8-12,20H2/b14-13-,22-19+
InChIKeyMFOULWSCYZMSHA-DXVLUBHXSA-N
MW299.46 g/mol
LogP3.88
Rot. Bonds9

About (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine

(1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine (PubChem CID 176668390) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine
PubChem CID176668390
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name(1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine
SMILESC=CC(C=C)/N=C(\C=C/N)C(=C)NC(C=C)C1CCCCC1
InChIInChI=1S/C19H29N3/c1-5-17(6-2)22-19(13-14-20)15(4)21-18(7-3)16-11-9-8-10-12-16/h5-7,13-14,16-18,21H,1-4,8-12,20H2/b14-13-,22-19+
InChIKeyMFOULWSCYZMSHA-DXVLUBHXSA-N
XLogP3.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine?
The IUPAC name of (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine (CID 176668390) is (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine.
What is the SMILES notation for (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine?
The canonical SMILES for (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine is C=CC(C=C)/N=C(\C=C/N)C(=C)NC(C=C)C1CCCCC1.
What is the InChIKey of (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine?
The InChIKey is MFOULWSCYZMSHA-DXVLUBHXSA-N. The full InChI is InChI=1S/C19H29N3/c1-5-17(6-2)22-19(13-14-20)15(4)21-18(7-3)16-11-9-8-10-12-16/h5-7,13-14,16-18,21H,1-4,8-12,20H2/b14-13-,22-19+.
What are the key properties of (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine?
(1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine has a molecular weight of 299.46 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-N-(1-cyclohexylprop-2-enyl)-3-penta-1,4-dien-3-yliminopenta-1,4-diene-1,4-diamine is sourced from PubChem (CID 176668390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).