3-methyl-1-phenyl-N-propylbut-3-en-2-amine

C14H21N — CID 79191049

IUPAC3-methyl-1-phenyl-N-propylbut-3-en-2-amine
SMILESC=C(C)C(Cc1ccccc1)NCCC
InChIInChI=1S/C14H21N/c1-4-10-15-14(12(2)3)11-13-8-6-5-7-9-13/h5-9,14-15H,2,4,10-11H2,1,3H3
InChIKeyNLIXXMVKMATGDT-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.17
Rot. Bonds6

About 3-methyl-1-phenyl-N-propylbut-3-en-2-amine

3-methyl-1-phenyl-N-propylbut-3-en-2-amine (PubChem CID 79191049) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-propylbut-3-en-2-amine
PubChem CID79191049
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-1-phenyl-N-propylbut-3-en-2-amine
SMILESC=C(C)C(Cc1ccccc1)NCCC
InChIInChI=1S/C14H21N/c1-4-10-15-14(12(2)3)11-13-8-6-5-7-9-13/h5-9,14-15H,2,4,10-11H2,1,3H3
InChIKeyNLIXXMVKMATGDT-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-propyl-1-pyridin-3-ylbut-3-en-2-amine
CID 79190636
1-(2-bromophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 79190752
N-(3-oxobutyl)-3-phenyl-2-(propylamino)propanamide
CID 22901016
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
4-benzyl-N-propylhexan-3-amine
CID 79307889
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
bis(2-amino-3-phenylpropanoic acid);4-hydroxy-2-(propylamino)butanoic acid
CID 174963682
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
2-(pentylamino)-3-phenylpropanoic acid;hydrate
CID 175282297
2,5-dimethyl-N-propylhex-1-en-3-amine
CID 79189953

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-propylbut-3-en-2-amine?
The IUPAC name of 3-methyl-1-phenyl-N-propylbut-3-en-2-amine (CID 79191049) is 3-methyl-1-phenyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for 3-methyl-1-phenyl-N-propylbut-3-en-2-amine?
The canonical SMILES for 3-methyl-1-phenyl-N-propylbut-3-en-2-amine is C=C(C)C(Cc1ccccc1)NCCC.
What is the InChIKey of 3-methyl-1-phenyl-N-propylbut-3-en-2-amine?
The InChIKey is NLIXXMVKMATGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-10-15-14(12(2)3)11-13-8-6-5-7-9-13/h5-9,14-15H,2,4,10-11H2,1,3H3.
What are the key properties of 3-methyl-1-phenyl-N-propylbut-3-en-2-amine?
3-methyl-1-phenyl-N-propylbut-3-en-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 79191049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).