(E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine

C25H33NO — CID 134926351

IUPAC(E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)/C(=C/c1ccccc1)CC(C)C
InChIInChI=1S/C25H33NO/c1-5-13-25(23-16-11-8-12-17-23)27-26(18-6-2)24(19-21(3)4)20-22-14-9-7-10-15-22/h6-12,14-17,20-21,25H,2,5,13,18-19H2,1,3-4H3/b24-20+
InChIKeyLBGAKBHEABBIBT-HIXSDJFHSA-N
MW363.55 g/mol
LogP7.03
Rot. Bonds11

About (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine

(E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine (PubChem CID 134926351) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine.

Molecular Properties

Compound Name(E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
PubChem CID134926351
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name(E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)/C(=C/c1ccccc1)CC(C)C
InChIInChI=1S/C25H33NO/c1-5-13-25(23-16-11-8-12-17-23)27-26(18-6-2)24(19-21(3)4)20-22-14-9-7-10-15-22/h6-12,14-17,20-21,25H,2,5,13,18-19H2,1,3-4H3/b24-20+
InChIKeyLBGAKBHEABBIBT-HIXSDJFHSA-N
XLogP7.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine 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

N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
CID 6712809
2,2,6,6-Tetramethyl-1-[(1-phenylhex-5-EN-1-YL)oxy]piperidine
CID 15519061
2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756
N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 90265282
N-benzyl-N-phenylmethoxypropan-2-amine
CID 134883639
N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine
CID 11209688
N-(1,3-Diphenylpropoxy)-N-methylmethanamine
CID 13095117
1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine
CID 85318132
N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
CID 86216645
1-Benzhydryloxy-2,2,6,6-tetramethylpiperidine
CID 101988701
1-(1,2-Diphenylpropoxy)-2,2,6,6-tetramethylpiperidine
CID 132522153
(2R,3R,5S)-2-but-3-enyl-3-ethenyl-2-methyl-5-phenyl-1,2-oxazolidin-2-ium
CID 134856200

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
The IUPAC name of (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine (CID 134926351) is (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine.
What is the SMILES notation for (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
The canonical SMILES for (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine is C=CCN(OC(CCC)c1ccccc1)/C(=C/c1ccccc1)CC(C)C.
What is the InChIKey of (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
The InChIKey is LBGAKBHEABBIBT-HIXSDJFHSA-N. The full InChI is InChI=1S/C25H33NO/c1-5-13-25(23-16-11-8-12-17-23)27-26(18-6-2)24(19-21(3)4)20-22-14-9-7-10-15-22/h6-12,14-17,20-21,25H,2,5,13,18-19H2,1,3-4H3/b24-20+.
What are the key properties of (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
(E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine has a molecular weight of 363.55 g/mol, XLogP of 7.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine is sourced from PubChem (CID 134926351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).