(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine

C11H17N3O — CID 163923579

IUPAC(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine
SMILESCO/C(=C\CC(N)(N)N)c1ccccc1
InChIInChI=1S/C11H17N3O/c1-15-10(7-8-11(12,13)14)9-5-3-2-4-6-9/h2-7H,8,12-14H2,1H3/b10-7-
InChIKeyRCNHHLZLYLBQPJ-YFHOEESVSA-N
MW207.28 g/mol
LogP0.59
Rot. Bonds4

About (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine

(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine (PubChem CID 163923579) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine.

Molecular Properties

Compound Name(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine
PubChem CID163923579
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine
SMILESCO/C(=C\CC(N)(N)N)c1ccccc1
InChIInChI=1S/C11H17N3O/c1-15-10(7-8-11(12,13)14)9-5-3-2-4-6-9/h2-7H,8,12-14H2,1H3/b10-7-
InChIKeyRCNHHLZLYLBQPJ-YFHOEESVSA-N
XLogP0.59
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxybut-1-enylbenzene
CID 69305429
[(Z)-3-methoxy-3-phenylprop-2-enyl]-trimethylsilane
CID 134979100
(Z)-4-methoxy-4-phenylbut-3-enenitrile
CID 13065937
(Z)-7-methoxy-7-phenylhept-6-en-2-one
CID 100946069
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
2-[(Z)-2-methoxy-2-phenylethenyl]aniline
CID 70402722
1-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-one
CID 72743571
(1-methoxy-2-phenoxyethenyl)benzene
CID 164530223
hydrazine;O-methyl benzenecarbothioate
CID 157129425
[(Z)-1-methoxy-2-nitroethenyl]benzene
CID 134895060
3-ethoxy-3-phenylprop-2-enenitrile
CID 86091715
2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole
CID 3800099

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine?
The IUPAC name of (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine (CID 163923579) is (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine.
What is the SMILES notation for (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine?
The canonical SMILES for (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine is CO/C(=C\CC(N)(N)N)c1ccccc1.
What is the InChIKey of (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine?
The InChIKey is RCNHHLZLYLBQPJ-YFHOEESVSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-10(7-8-11(12,13)14)9-5-3-2-4-6-9/h2-7H,8,12-14H2,1H3/b10-7-.
What are the key properties of (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine?
(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine has a molecular weight of 207.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine is sourced from PubChem (CID 163923579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).