1-(2-phenylcyclopropyl)hex-5-en-1-amine

C15H21N — CID 104987040

IUPAC1-(2-phenylcyclopropyl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CC1c1ccccc1
InChIInChI=1S/C15H21N/c1-2-3-5-10-15(16)14-11-13(14)12-8-6-4-7-9-12/h2,4,6-9,13-15H,1,3,5,10-11,16H2
InChIKeyBZMHENCYKIGXQW-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.47
Rot. Bonds6

About 1-(2-phenylcyclopropyl)hex-5-en-1-amine

1-(2-phenylcyclopropyl)hex-5-en-1-amine (PubChem CID 104987040) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)hex-5-en-1-amine
PubChem CID104987040
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(2-phenylcyclopropyl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CC1c1ccccc1
InChIInChI=1S/C15H21N/c1-2-3-5-10-15(16)14-11-13(14)12-8-6-4-7-9-12/h2,4,6-9,13-15H,1,3,5,10-11,16H2
InChIKeyBZMHENCYKIGXQW-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
1-(2-methylcyclopropyl)hex-5-en-1-amine
CID 65420400
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
CID 65405517
3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
CID 115845595
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
CID 116660529
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 105152981
1-(2,3-dihydro-1-benzothiophen-3-yl)hex-5-en-1-amine
CID 105153134
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
1-(2-phenylcyclopropyl)hex-5-en-1-one
CID 114974761

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)hex-5-en-1-amine?
The IUPAC name of 1-(2-phenylcyclopropyl)hex-5-en-1-amine (CID 104987040) is 1-(2-phenylcyclopropyl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2-phenylcyclopropyl)hex-5-en-1-amine?
The canonical SMILES for 1-(2-phenylcyclopropyl)hex-5-en-1-amine is C=CCCCC(N)C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)hex-5-en-1-amine?
The InChIKey is BZMHENCYKIGXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-5-10-15(16)14-11-13(14)12-8-6-4-7-9-12/h2,4,6-9,13-15H,1,3,5,10-11,16H2.
What are the key properties of 1-(2-phenylcyclopropyl)hex-5-en-1-amine?
1-(2-phenylcyclopropyl)hex-5-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)hex-5-en-1-amine is sourced from PubChem (CID 104987040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).