N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride

C23H50Cl2N2 — CID 141033111

IUPACN'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
SMILESCNCCCCCCCCCCCCCCCCN(C)CCCCCCl.Cl
InChIInChI=1S/C23H49ClN2.ClH/c1-25-21-17-13-11-9-7-5-3-4-6-8-10-12-14-18-22-26(2)23-19-15-16-20-24;/h25H,3-23H2,1-2H3;1H
InChIKeyDOLLZBHQQRVFRK-UHFFFAOYSA-N
MW425.57 g/mol
LogP7.43
Rot. Bonds22

About N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride

N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride (PubChem CID 141033111) has the molecular formula C23H50Cl2N2 and a molecular weight of 425.57 g/mol. Its IUPAC name is N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
PubChem CID141033111
Molecular FormulaC23H50Cl2N2
Molecular Weight425.57 g/mol
Exact Mass424.34
IUPAC NameN'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
SMILESCNCCCCCCCCCCCCCCCCN(C)CCCCCCl.Cl
InChIInChI=1S/C23H49ClN2.ClH/c1-25-21-17-13-11-9-7-5-3-4-6-8-10-12-14-18-22-26(2)23-19-15-16-20-24;/h25H,3-23H2,1-2H3;1H
InChIKeyDOLLZBHQQRVFRK-UHFFFAOYSA-N
XLogP7.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 21130479
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CID 139950987
N-butyl-5-chloro-N-methylpentan-1-amine
CID 61287321
1-chloropentane;N-methyloctan-1-amine
CID 174674151
N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63700093
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride?
The IUPAC name of N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride (CID 141033111) is N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride.
What is the SMILES notation for N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride?
The canonical SMILES for N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride is CNCCCCCCCCCCCCCCCCN(C)CCCCCCl.Cl.
What is the InChIKey of N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride?
The InChIKey is DOLLZBHQQRVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49ClN2.ClH/c1-25-21-17-13-11-9-7-5-3-4-6-8-10-12-14-18-22-26(2)23-19-15-16-20-24;/h25H,3-23H2,1-2H3;1H.
What are the key properties of N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride?
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride has a molecular weight of 425.57 g/mol, XLogP of 7.43, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride is sourced from PubChem (CID 141033111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).