(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol

C12H18N2O — CID 167081369

IUPAC(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
SMILESC=N/C=C(/C)C(=C)N(C)/C(C)=C\C(=C)O
InChIInChI=1S/C12H18N2O/c1-9(8-13-5)12(4)14(6)10(2)7-11(3)15/h7-8,15H,3-5H2,1-2,6H3/b9-8-,10-7-
InChIKeyDLNRJDHANGBHSO-NFIXMJHSSA-N
MW206.29 g/mol
LogP3.01
Rot. Bonds5

About (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol

(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol (PubChem CID 167081369) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
PubChem CID167081369
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
SMILESC=N/C=C(/C)C(=C)N(C)/C(C)=C\C(=C)O
InChIInChI=1S/C12H18N2O/c1-9(8-13-5)12(4)14(6)10(2)7-11(3)15/h7-8,15H,3-5H2,1-2,6H3/b9-8-,10-7-
InChIKeyDLNRJDHANGBHSO-NFIXMJHSSA-N
XLogP3.01
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
The IUPAC name of (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol (CID 167081369) is (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol is C=N/C=C(/C)C(=C)N(C)/C(C)=C\C(=C)O.
What is the InChIKey of (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
The InChIKey is DLNRJDHANGBHSO-NFIXMJHSSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(8-13-5)12(4)14(6)10(2)7-11(3)15/h7-8,15H,3-5H2,1-2,6H3/b9-8-,10-7-.
What are the key properties of (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol has a molecular weight of 206.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol is sourced from PubChem (CID 167081369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).