N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine

C9H19ClN2 — CID 106437388

IUPACN-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(=CCl)CNCCCN(C)C
InChIInChI=1S/C9H19ClN2/c1-9(7-10)8-11-5-4-6-12(2)3/h7,11H,4-6,8H2,1-3H3
InChIKeyPOEGQQZNWXGUHL-UHFFFAOYSA-N
MW190.72 g/mol
LogP1.67
Rot. Bonds6

About N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine

N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 106437388) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID106437388
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(=CCl)CNCCCN(C)C
InChIInChI=1S/C9H19ClN2/c1-9(7-10)8-11-5-4-6-12(2)3/h7,11H,4-6,8H2,1-3H3
InChIKeyPOEGQQZNWXGUHL-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-chloropropyl)-2-methylprop-2-en-1-amine
CID 106439962
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
CID 79167152
N-(3-chloro-2-methylprop-2-enyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 106437308
methyl 2-[3-(dimethylamino)propylamino]acetate
CID 28583744
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
1-[(3-chloro-2-methylprop-2-enyl)amino]pentan-3-ol
CID 106438119
N-(3-chloro-2-methylprop-2-enyl)-3-methylsulfanylbutan-1-amine
CID 106438114
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
CID 106438286
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N-butyl-2-methylbut-2-en-1-amine
CID 76568540

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine (CID 106437388) is N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine is CC(=CCl)CNCCCN(C)C.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is POEGQQZNWXGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2/c1-9(7-10)8-11-5-4-6-12(2)3/h7,11H,4-6,8H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine?
N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 190.72 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106437388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).