2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride

C9H24Cl4N2 — CID 19917203

IUPAC2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CCCCl.CN(C)CCCl.Cl.Cl
InChIInChI=1S/C5H12ClN.C4H10ClN.2ClH/c1-7(2)5-3-4-6;1-6(2)4-3-5;;/h3-5H2,1-2H3;3-4H2,1-2H3;2*1H
InChIKeyZMLRHMSHKPJDJN-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride

2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride (PubChem CID 19917203) has the molecular formula C9H24Cl4N2 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
PubChem CID19917203
Molecular FormulaC9H24Cl4N2
Molecular Weight302.12 g/mol
Exact Mass300.07
IUPAC Name2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CCCCl.CN(C)CCCl.Cl.Cl
InChIInChI=1S/C5H12ClN.C4H10ClN.2ClH/c1-7(2)5-3-4-6;1-6(2)4-3-5;;/h3-5H2,1-2H3;3-4H2,1-2H3;2*1H
InChIKeyZMLRHMSHKPJDJN-UHFFFAOYSA-N
XLogP2.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
2-chloro-N,N-dimethylethanamine;N,N',N'-trimethylethane-1,2-diamine;hydrochloride
CID 160877292
N'-(5-chloropentyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63700093
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine
CID 159163841
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N'-(2-chloroethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107488929
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
chloroethane;N,N-dimethylhexadecan-1-amine
CID 87849002
3-chloro-N,N-dipropylpropan-1-amine;hydrochloride
CID 19031570
3-iodo-N,N-dimethylpropan-1-amine;hydrochloride
CID 134304472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride?
The IUPAC name of 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride (CID 19917203) is 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride is CN(C)CCCCl.CN(C)CCCl.Cl.Cl.
What is the InChIKey of 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride?
The InChIKey is ZMLRHMSHKPJDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN.C4H10ClN.2ClH/c1-7(2)5-3-4-6;1-6(2)4-3-5;;/h3-5H2,1-2H3;3-4H2,1-2H3;2*1H.
What are the key properties of 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride?
2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride has a molecular weight of 302.12 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylethanamine;3-chloro-N,N-dimethylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 19917203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).