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

C10H16N2O — CID 167081406

IUPAC(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(/C)NC(=C)/C(C)=C\N
InChIInChI=1S/C10H16N2O/c1-7(6-11)10(4)12-8(2)5-9(3)13/h5-6,12-13H,3-4,11H2,1-2H3/b7-6-,8-5-
InChIKeyHVQJHQHMQWOSDO-HSHIGALWSA-N
MW180.25 g/mol
LogP1.93
Rot. Bonds4

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

(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol (PubChem CID 167081406) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
PubChem CID167081406
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(/C)NC(=C)/C(C)=C\N
InChIInChI=1S/C10H16N2O/c1-7(6-11)10(4)12-8(2)5-9(3)13/h5-6,12-13H,3-4,11H2,1-2H3/b7-6-,8-5-
InChIKeyHVQJHQHMQWOSDO-HSHIGALWSA-N
XLogP1.93
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.93
H-Bond Donors ≤ 53
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]amino]penta-1,3-dien-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
The IUPAC name of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol (CID 167081406) is (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol is C=C(O)/C=C(/C)NC(=C)/C(C)=C\N.
What is the InChIKey of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
The InChIKey is HVQJHQHMQWOSDO-HSHIGALWSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(6-11)10(4)12-8(2)5-9(3)13/h5-6,12-13H,3-4,11H2,1-2H3/b7-6-,8-5-.
What are the key properties of (3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol?
(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]amino]penta-1,3-dien-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 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]amino]penta-1,3-dien-2-ol is sourced from PubChem (CID 167081406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).