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

C19H29NO — CID 134926496

IUPAC4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(=C)CC(C)C
InChIInChI=1S/C19H29NO/c1-6-11-19(18-12-9-8-10-13-18)21-20(14-7-2)17(5)15-16(3)4/h7-10,12-13,16,19H,2,5-6,11,14-15H2,1,3-4H3
InChIKeyJGDIUYVSVMOLBN-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.51
Rot. Bonds10

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

4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine (PubChem CID 134926496) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
PubChem CID134926496
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(=C)CC(C)C
InChIInChI=1S/C19H29NO/c1-6-11-19(18-12-9-8-10-13-18)21-20(14-7-2)17(5)15-16(3)4/h7-10,12-13,16,19H,2,5-6,11,14-15H2,1,3-4H3
InChIKeyJGDIUYVSVMOLBN-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.51
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'}

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Related Compounds

N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
CID 6712809
2,2,6,6-Tetramethyl-1-(1-phenylethoxy)piperidine
CID 4172562
2-Methyl-6-phenyloxazinane
CID 548191
(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
CID 10968223
N-ethyl-N-phenylmethoxyethanamine
CID 274251
2-Methyl-5-phenylisoxazolidine
CID 11051981
Piperidine, 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)-
CID 11129539
2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756
N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine
CID 130439660
3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
CID 143418429
(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine
CID 24862399
1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine
CID 85318132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
The IUPAC name of 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine (CID 134926496) is 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine.
What is the SMILES notation for 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
The canonical SMILES for 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine is C=CCN(OC(CCC)c1ccccc1)C(=C)CC(C)C.
What is the InChIKey of 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
The InChIKey is JGDIUYVSVMOLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-6-11-19(18-12-9-8-10-13-18)21-20(14-7-2)17(5)15-16(3)4/h7-10,12-13,16,19H,2,5-6,11,14-15H2,1,3-4H3.
What are the key properties of 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine?
4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine is sourced from PubChem (CID 134926496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).