1-phenyl-N-prop-2-enylbutan-1-amine

C13H19N — CID 43177099

IUPAC1-phenyl-N-prop-2-enylbutan-1-amine
SMILESC=CCNC(CCC)c1ccccc1
InChIInChI=1S/C13H19N/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h4-7,9-10,13-14H,2-3,8,11H2,1H3
InChIKeyNYGWDYJATNUERW-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.30
Rot. Bonds6

About 1-phenyl-N-prop-2-enylbutan-1-amine

1-phenyl-N-prop-2-enylbutan-1-amine (PubChem CID 43177099) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-prop-2-enylbutan-1-amine
PubChem CID43177099
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-phenyl-N-prop-2-enylbutan-1-amine
SMILESC=CCNC(CCC)c1ccccc1
InChIInChI=1S/C13H19N/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h4-7,9-10,13-14H,2-3,8,11H2,1H3
InChIKeyNYGWDYJATNUERW-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.30
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

N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 17156015
N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
CID 115717128
N-[ethoxy(phenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 175308100
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 115651539
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-enylbutan-1-amine?
The IUPAC name of 1-phenyl-N-prop-2-enylbutan-1-amine (CID 43177099) is 1-phenyl-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for 1-phenyl-N-prop-2-enylbutan-1-amine?
The canonical SMILES for 1-phenyl-N-prop-2-enylbutan-1-amine is C=CCNC(CCC)c1ccccc1.
What is the InChIKey of 1-phenyl-N-prop-2-enylbutan-1-amine?
The InChIKey is NYGWDYJATNUERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h4-7,9-10,13-14H,2-3,8,11H2,1H3.
What are the key properties of 1-phenyl-N-prop-2-enylbutan-1-amine?
1-phenyl-N-prop-2-enylbutan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 43177099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).