N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine

C15H22ClN — CID 113437828

IUPACN-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN/c1-4-6-8-12(3)17-15(5-2)13-9-7-10-14(16)11-13/h4,7,9-12,15,17H,1,5-6,8H2,2-3H3
InChIKeyREEKWEUKPHGLJZ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.74
Rot. Bonds7

About N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine

N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine (PubChem CID 113437828) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
PubChem CID113437828
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN/c1-4-6-8-12(3)17-15(5-2)13-9-7-10-14(16)11-13/h4,7,9-12,15,17H,1,5-6,8H2,2-3H3
InChIKeyREEKWEUKPHGLJZ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.74
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-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine
CID 115899472
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43093621
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine (CID 113437828) is N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine is C=CCCC(C)NC(CC)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine?
The InChIKey is REEKWEUKPHGLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-4-6-8-12(3)17-15(5-2)13-9-7-10-14(16)11-13/h4,7,9-12,15,17H,1,5-6,8H2,2-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine?
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine has a molecular weight of 251.80 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine is sourced from PubChem (CID 113437828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).