N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine

C20H26Cl2N2 — CID 16340

IUPACN,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
SMILESClc1ccccc1CNCCCCCCNCc1ccccc1Cl
InChIInChI=1S/C20H26Cl2N2/c21-19-11-5-3-9-17(19)15-23-13-7-1-2-8-14-24-16-18-10-4-6-12-20(18)22/h3-6,9-12,23-24H,1-2,7-8,13-16H2
InChIKeyRXXFLAYTVCMLBI-UHFFFAOYSA-N
MW365.35 g/mol
LogP5.43
Rot. Bonds11

About N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine

N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine (PubChem CID 16340) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
PubChem CID16340
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC NameN,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
SMILESClc1ccccc1CNCCCCCCNCc1ccccc1Cl
InChIInChI=1S/C20H26Cl2N2/c21-19-11-5-3-9-17(19)15-23-13-7-1-2-8-14-24-16-18-10-4-6-12-20(18)22/h3-6,9-12,23-24H,1-2,7-8,13-16H2
InChIKeyRXXFLAYTVCMLBI-UHFFFAOYSA-N
XLogP5.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N-[2-[2-[7-[(2-chlorophenyl)methylamino]heptylamino]ethyldisulfanyl]ethyl]heptane-1,7-diamine;hydrochloride
CID 90679903
5-[(2-chlorophenyl)methylamino]pentanenitrile
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N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
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2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
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N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine
CID 107320165
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
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N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
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N-[(2,3-dichlorophenyl)methyl]hex-5-yn-1-amine
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CID 82678109

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine?
The IUPAC name of N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine (CID 16340) is N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine?
The canonical SMILES for N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine is Clc1ccccc1CNCCCCCCNCc1ccccc1Cl.
What is the InChIKey of N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine?
The InChIKey is RXXFLAYTVCMLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2/c21-19-11-5-3-9-17(19)15-23-13-7-1-2-8-14-24-16-18-10-4-6-12-20(18)22/h3-6,9-12,23-24H,1-2,7-8,13-16H2.
What are the key properties of N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine?
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine has a molecular weight of 365.35 g/mol, XLogP of 5.43, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine is sourced from PubChem (CID 16340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).