N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine

C15H21N — CID 104582439

IUPACN-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC/C=C/c1ccccc1
InChIInChI=1S/C15H21N/c1-3-4-9-14(2)16-13-8-12-15-10-6-5-7-11-15/h3,5-8,10-12,14,16H,1,4,9,13H2,2H3/b12-8+
InChIKeyANCBGHUAMMNGFK-XYOKQWHBSA-N
MW215.34 g/mol
LogP3.64
Rot. Bonds7

About N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine

N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine (PubChem CID 104582439) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
PubChem CID104582439
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC/C=C/c1ccccc1
InChIInChI=1S/C15H21N/c1-3-4-9-14(2)16-13-8-12-15-10-6-5-7-11-15/h3,5-8,10-12,14,16H,1,4,9,13H2,2H3/b12-8+
InChIKeyANCBGHUAMMNGFK-XYOKQWHBSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.64
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

(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine
CID 62339939
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
1-N,1-N,3-trimethyl-2-N-(3-phenylprop-2-enyl)butane-1,2-diamine
CID 76940438
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine (CID 104582439) is N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine is C=CCCC(C)NC/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine?
The InChIKey is ANCBGHUAMMNGFK-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H21N/c1-3-4-9-14(2)16-13-8-12-15-10-6-5-7-11-15/h3,5-8,10-12,14,16H,1,4,9,13H2,2H3/b12-8+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine?
N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine is sourced from PubChem (CID 104582439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).