(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine

C12H19N3 — CID 143061470

IUPAC(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine
SMILES[H]/N=C(\C=C(\C)N)C(=C)C=CCN=C(C)C
InChIInChI=1S/C12H19N3/c1-9(2)15-7-5-6-10(3)12(14)8-11(4)13/h5-6,8,14H,3,7,13H2,1-2,4H3/b6-5?,11-8-,14-12+
InChIKeySSMGCTHJJDKQNU-MBBXPWHNSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds5

About (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine

(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine (PubChem CID 143061470) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine.

Molecular Properties

Compound Name(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine
PubChem CID143061470
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine
SMILES[H]/N=C(\C=C(\C)N)C(=C)C=CCN=C(C)C
InChIInChI=1S/C12H19N3/c1-9(2)15-7-5-6-10(3)12(14)8-11(4)13/h5-6,8,14H,3,7,13H2,1-2,4H3/b6-5?,11-8-,14-12+
InChIKeySSMGCTHJJDKQNU-MBBXPWHNSA-N
XLogP2.46
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?
The IUPAC name of (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine (CID 143061470) is (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine.
What is the SMILES notation for (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?
The canonical SMILES for (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine is [H]/N=C(\C=C(\C)N)C(=C)C=CCN=C(C)C.
What is the InChIKey of (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?
The InChIKey is SSMGCTHJJDKQNU-MBBXPWHNSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)15-7-5-6-10(3)12(14)8-11(4)13/h5-6,8,14H,3,7,13H2,1-2,4H3/b6-5?,11-8-,14-12+.
What are the key properties of (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine?
(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine is sourced from PubChem (CID 143061470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).