5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine

C15H21Cl2N — CID 79598142

IUPAC5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2N/c1-12(2)11-18-10-5-3-4-7-13-14(16)8-6-9-15(13)17/h3-4,6,8-9,12,18H,5,7,10-11H2,1-2H3
InChIKeySAJKLSNUMPHDCL-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.73
Rot. Bonds7

About 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine

5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79598142) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79598142
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2N/c1-12(2)11-18-10-5-3-4-7-13-14(16)8-6-9-15(13)17/h3-4,6,8-9,12,18H,5,7,10-11H2,1-2H3
InChIKeySAJKLSNUMPHDCL-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.73
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 79598142) is 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine is CC(C)CNCCC=CCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is SAJKLSNUMPHDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-12(2)11-18-10-5-3-4-7-13-14(16)8-6-9-15(13)17/h3-4,6,8-9,12,18H,5,7,10-11H2,1-2H3.
What are the key properties of 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79598142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).