N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride

C7H19Cl3N2 — CID 21254468

IUPACN-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNCCCl.Cl.Cl
InChIInChI=1S/C7H17ClN2.2ClH/c1-10(2)7-3-5-9-6-4-8;;/h9H,3-7H2,1-2H3;2*1H
InChIKeyIOSZGHHKMMMTKB-UHFFFAOYSA-N
MW237.60 g/mol
LogP1.61
Rot. Bonds6

About N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride

N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride (PubChem CID 21254468) has the molecular formula C7H19Cl3N2 and a molecular weight of 237.60 g/mol. Its IUPAC name is N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
PubChem CID21254468
Molecular FormulaC7H19Cl3N2
Molecular Weight237.60 g/mol
Exact Mass236.06
IUPAC NameN-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNCCCl.Cl.Cl
InChIInChI=1S/C7H17ClN2.2ClH/c1-10(2)7-3-5-9-6-4-8;;/h9H,3-7H2,1-2H3;2*1H
InChIKeyIOSZGHHKMMMTKB-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.60
LogP ≤ 51.61
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

1-Propylamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride
CID 3040665
2-Chloro-N-(2-chloropropyl)propan-1-amine--hydrogen chloride (1/1)
CID 19176
Dipropylamine, N-(2-chloroethyl)-, hydrochloride
CID 20645
Methyl-ethyl-beta-chloroethylamine hydrochloride
CID 20649
Isopropylamine, N,N-bis(2-chloroethyl)-, hydrochloride
CID 32368
1-Propanamine, N-(2-chloroethyl)-, hydrochloride
CID 3045064
2-Chloropropyl(dimethyl)azanium;chloride
CID 10931701
N~1~,N~1~-Bis(2-chloroethyl)-N~4~,N~4~-diethylbutane-1,4-diamine--hydrogen chloride (1/2)
CID 19784
3-Chloro-N-(2-chloroethyl)-N-ethylpropan-1-amine--hydrogen chloride (1/1)
CID 49440
Dipropylamine, 2,2'-dichloro-N-methyl-, hydrochloride
CID 58236
Ethylenediamine, N,N,N',N'-tetrakis(2-chloropropyl)-, dihydrochloride
CID 58364
1-Propanamine, 2-chloro-N-(3-chloropropyl)-, hydrochloride (1:1)
CID 3060543

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride (CID 21254468) is N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride is CN(C)CCCNCCCl.Cl.Cl.
What is the InChIKey of N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is IOSZGHHKMMMTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2.2ClH/c1-10(2)7-3-5-9-6-4-8;;/h9H,3-7H2,1-2H3;2*1H.
What are the key properties of N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 237.60 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N',N'-dimethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 21254468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).