(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine

C11H15N3O — CID 178030390

IUPAC(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine
SMILESCOc1cccc(/C(N)=C/C=C(N)N)c1
InChIInChI=1S/C11H15N3O/c1-15-9-4-2-3-8(7-9)10(12)5-6-11(13)14/h2-7H,12-14H2,1H3/b10-5-
InChIKeyBKKWECZJQGSYLT-YHYXMXQVSA-N
MW205.26 g/mol
LogP0.75
Rot. Bonds3

About (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine

(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine (PubChem CID 178030390) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine
PubChem CID178030390
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine
SMILESCOc1cccc(/C(N)=C/C=C(N)N)c1
InChIInChI=1S/C11H15N3O/c1-15-9-4-2-3-8(7-9)10(12)5-6-11(13)14/h2-7H,12-14H2,1H3/b10-5-
InChIKeyBKKWECZJQGSYLT-YHYXMXQVSA-N
XLogP0.75
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine (CID 178030390) is (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine is COc1cccc(/C(N)=C/C=C(N)N)c1.
What is the InChIKey of (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine?
The InChIKey is BKKWECZJQGSYLT-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-9-4-2-3-8(7-9)10(12)5-6-11(13)14/h2-7H,12-14H2,1H3/b10-5-.
What are the key properties of (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine?
(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine has a molecular weight of 205.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 178030390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).