3-phenyl-N-prop-2-enylpentan-3-amine

C14H21N — CID 174436500

IUPAC3-phenyl-N-prop-2-enylpentan-3-amine
SMILESC=CCNC(CC)(CC)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-12-15-14(5-2,6-3)13-10-8-7-9-11-13/h4,7-11,15H,1,5-6,12H2,2-3H3
InChIKeyGEPQXWMJUATYJD-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.48
Rot. Bonds6

About 3-phenyl-N-prop-2-enylpentan-3-amine

3-phenyl-N-prop-2-enylpentan-3-amine (PubChem CID 174436500) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-phenyl-N-prop-2-enylpentan-3-amine.

Molecular Properties

Compound Name3-phenyl-N-prop-2-enylpentan-3-amine
PubChem CID174436500
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-phenyl-N-prop-2-enylpentan-3-amine
SMILESC=CCNC(CC)(CC)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-12-15-14(5-2,6-3)13-10-8-7-9-11-13/h4,7-11,15H,1,5-6,12H2,2-3H3
InChIKeyGEPQXWMJUATYJD-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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

butanedioic acid;bis(2-phenyl-N-prop-2-enylpropan-2-amine)
CID 173249762
2-benzyl-2-(prop-2-enylamino)butanenitrile
CID 79008569
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
CID 135143039
diethylcarbamodithioic acid;2-phenyl-N-prop-2-enylpropan-2-amine
CID 173385686
methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
CID 103464935
N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride
CID 175433479
(3S,4R)-4-methyl-3-phenylsulfanyl-N-prop-2-enylheptan-3-amine
CID 160521762
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
3-ethyl-N,N-dimethyl-3-phenylpent-4-en-1-amine
CID 132503899
(1-amino-2-phenylbutan-2-yl)carbamic acid
CID 174540690

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-prop-2-enylpentan-3-amine?
The IUPAC name of 3-phenyl-N-prop-2-enylpentan-3-amine (CID 174436500) is 3-phenyl-N-prop-2-enylpentan-3-amine.
What is the SMILES notation for 3-phenyl-N-prop-2-enylpentan-3-amine?
The canonical SMILES for 3-phenyl-N-prop-2-enylpentan-3-amine is C=CCNC(CC)(CC)c1ccccc1.
What is the InChIKey of 3-phenyl-N-prop-2-enylpentan-3-amine?
The InChIKey is GEPQXWMJUATYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-12-15-14(5-2,6-3)13-10-8-7-9-11-13/h4,7-11,15H,1,5-6,12H2,2-3H3.
What are the key properties of 3-phenyl-N-prop-2-enylpentan-3-amine?
3-phenyl-N-prop-2-enylpentan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-prop-2-enylpentan-3-amine is sourced from PubChem (CID 174436500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).