(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol

C11H18N2O — CID 163374545

IUPAC(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(/C)N(C)C(=C)/C(C)=C\N
InChIInChI=1S/C11H18N2O/c1-8(7-12)11(4)13(5)9(2)6-10(3)14/h6-7,14H,3-4,12H2,1-2,5H3/b8-7-,9-6-
InChIKeyXEUQKLSFQLLQJD-QOCNPQIPSA-N
MW194.28 g/mol
LogP2.27
Rot. Bonds4

About (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol

(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol (PubChem CID 163374545) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol
PubChem CID163374545
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(/C)N(C)C(=C)/C(C)=C\N
InChIInChI=1S/C11H18N2O/c1-8(7-12)11(4)13(5)9(2)6-10(3)14/h6-7,14H,3-4,12H2,1-2,5H3/b8-7-,9-6-
InChIKeyXEUQKLSFQLLQJD-QOCNPQIPSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol
CID 134292304
(3E)-4-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 141962410
(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
CID 142269992
(2Z)-2-(aminomethylidene)-6-propan-2-yl-1-propylpyridin-4-ol
CID 146289720
(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol
CID 165146242
(6Z)-6-(aminomethylidene)-4-propan-2-yl-1-propylpyridin-3-ol
CID 166973844
(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
CID 167081254
(3Z)-4-[methyl-[(3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
CID 167081369
1-(1,5-dimethyl-2H-pyridin-4-yl)-6-methyl-2H-pyridin-4-ol
CID 167081405
(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
CID 167081406
1,6-Dimethyl-5-(methylamino)azepin-3-ol
CID 143695187

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol?
The IUPAC name of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol (CID 163374545) is (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol is C=C(O)/C=C(/C)N(C)C(=C)/C(C)=C\N.
What is the InChIKey of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol?
The InChIKey is XEUQKLSFQLLQJD-QOCNPQIPSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(7-12)11(4)13(5)9(2)6-10(3)14/h6-7,14H,3-4,12H2,1-2,5H3/b8-7-,9-6-.
What are the key properties of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol?
(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol has a molecular weight of 194.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol is sourced from PubChem (CID 163374545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).