N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine

C11H25ClN2 — CID 63700093

IUPACN'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCCCCCl
InChIInChI=1S/C11H25ClN2/c1-13(2)9-7-11-14(3)10-6-4-5-8-12/h4-11H2,1-3H3
InChIKeyLKPAUBDIVAIQOQ-UHFFFAOYSA-N
MW220.79 g/mol
LogP2.28
Rot. Bonds9

About N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine

N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63700093) has the molecular formula C11H25ClN2 and a molecular weight of 220.79 g/mol. Its IUPAC name is N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63700093
Molecular FormulaC11H25ClN2
Molecular Weight220.79 g/mol
Exact Mass220.17
IUPAC NameN'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCCCCCl
InChIInChI=1S/C11H25ClN2/c1-13(2)9-7-11-14(3)10-6-4-5-8-12/h4-11H2,1-3H3
InChIKeyLKPAUBDIVAIQOQ-UHFFFAOYSA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.79
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
N-butyl-5-chloro-N-methylpentan-1-amine
CID 61287321
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
CID 141033111
N'-[2-(2-chloroethoxy)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699930
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
CID 62227650
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
CID 19917203
N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-N-methylhydroxylamine
CID 176937078

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine (CID 63700093) is N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CCCCCCl.
What is the InChIKey of N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is LKPAUBDIVAIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClN2/c1-13(2)9-7-11-14(3)10-6-4-5-8-12/h4-11H2,1-3H3.
What are the key properties of N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 220.79 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63700093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).