1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine

C23H28Cl4N2 — CID 87925102

IUPAC1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine
SMILESCCCCCC/N=C(\CCc1ccc(Cl)c(Cl)c1)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H28Cl4N2/c1-2-3-4-5-12-29-23(11-8-16-6-9-18(24)20(26)13-16)22(28)15-17-7-10-19(25)21(27)14-17/h6-7,9-10,13-14,22H,2-5,8,11-12,15,28H2,1H3/b29-23+
InChIKeyKFNYUTPXVMXYTE-BYNJWEBRSA-N
MW474.30 g/mol
LogP7.82
Rot. Bonds11

About 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine

1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine (PubChem CID 87925102) has the molecular formula C23H28Cl4N2 and a molecular weight of 474.30 g/mol. Its IUPAC name is 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine.

Molecular Properties

Compound Name1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine
PubChem CID87925102
Molecular FormulaC23H28Cl4N2
Molecular Weight474.30 g/mol
Exact Mass472.10
IUPAC Name1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine
SMILESCCCCCC/N=C(\CCc1ccc(Cl)c(Cl)c1)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H28Cl4N2/c1-2-3-4-5-12-29-23(11-8-16-6-9-18(24)20(26)13-16)22(28)15-17-7-10-19(25)21(27)14-17/h6-7,9-10,13-14,22H,2-5,8,11-12,15,28H2,1H3/b29-23+
InChIKeyKFNYUTPXVMXYTE-BYNJWEBRSA-N
XLogP7.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.30
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine?
The IUPAC name of 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine (CID 87925102) is 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine.
What is the SMILES notation for 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine?
The canonical SMILES for 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine is CCCCCC/N=C(\CCc1ccc(Cl)c(Cl)c1)C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine?
The InChIKey is KFNYUTPXVMXYTE-BYNJWEBRSA-N. The full InChI is InChI=1S/C23H28Cl4N2/c1-2-3-4-5-12-29-23(11-8-16-6-9-18(24)20(26)13-16)22(28)15-17-7-10-19(25)21(27)14-17/h6-7,9-10,13-14,22H,2-5,8,11-12,15,28H2,1H3/b29-23+.
What are the key properties of 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine?
1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine has a molecular weight of 474.30 g/mol, XLogP of 7.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine is sourced from PubChem (CID 87925102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).