N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine

C10H23ClN2 — CID 114526728

IUPACN-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCC(Cl)CCNCCCN(C)C
InChIInChI=1S/C10H23ClN2/c1-4-10(11)6-8-12-7-5-9-13(2)3/h10,12H,4-9H2,1-3H3
InChIKeyFZJVWAFOZHLRDE-UHFFFAOYSA-N
MW206.76 g/mol
LogP1.94
Rot. Bonds8

About N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine

N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114526728) has the molecular formula C10H23ClN2 and a molecular weight of 206.76 g/mol. Its IUPAC name is N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114526728
Molecular FormulaC10H23ClN2
Molecular Weight206.76 g/mol
Exact Mass206.15
IUPAC NameN-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCC(Cl)CCNCCCN(C)C
InChIInChI=1S/C10H23ClN2/c1-4-10(11)6-8-12-7-5-9-13(2)3/h10,12H,4-9H2,1-3H3
InChIKeyFZJVWAFOZHLRDE-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 51.94
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

N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 114526723
6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine
CID 87932680
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine
CID 88890905
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine (CID 114526728) is N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine is CCC(Cl)CCNCCCN(C)C.
What is the InChIKey of N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FZJVWAFOZHLRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2/c1-4-10(11)6-8-12-7-5-9-13(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine?
N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 206.76 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114526728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).