2,2-dichloro-N-ethylethenamine;hydrochloride

C4H8Cl3N — CID 173449722

IUPAC2,2-dichloro-N-ethylethenamine;hydrochloride
SMILESCCNC=C(Cl)Cl.Cl
InChIInChI=1S/C4H7Cl2N.ClH/c1-2-7-3-4(5)6;/h3,7H,2H2,1H3;1H
InChIKeyROEXIDIFQFAWGM-UHFFFAOYSA-N
MW176.47 g/mol
LogP2.29
Rot. Bonds2

About 2,2-dichloro-N-ethylethenamine;hydrochloride

2,2-dichloro-N-ethylethenamine;hydrochloride (PubChem CID 173449722) has the molecular formula C4H8Cl3N and a molecular weight of 176.47 g/mol. Its IUPAC name is 2,2-dichloro-N-ethylethenamine;hydrochloride.

Molecular Properties

Compound Name2,2-dichloro-N-ethylethenamine;hydrochloride
PubChem CID173449722
Molecular FormulaC4H8Cl3N
Molecular Weight176.47 g/mol
Exact Mass174.97
IUPAC Name2,2-dichloro-N-ethylethenamine;hydrochloride
SMILESCCNC=C(Cl)Cl.Cl
InChIInChI=1S/C4H7Cl2N.ClH/c1-2-7-3-4(5)6;/h3,7H,2H2,1H3;1H
InChIKeyROEXIDIFQFAWGM-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
(Z)-4-(ethylamino)-3-methylbut-3-en-2-one
CID 45085246
(Z)-N-ethyl-N',2-dimethylprop-1-ene-1,3-diamine
CID 163865379
(E)-N,N'-diethylethene-1,2-diamine
CID 15752165
azane;3-(ethylamino)-2-methylprop-2-enoic acid
CID 118554953
(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
CID 144887209
(Z)-1-N-ethyl-2-N,2-N-dimethylprop-1-ene-1,2,3-triamine
CID 167229025
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
diethyl 2-(ethylaminomethylidene)propanedioate
CID 13197984
(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine
CID 145174387
chloroethane;N-methylmethanamine;hydrochloride
CID 22017076
2-dichlorosilyl-N-ethylethenamine
CID 154509496

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethylethenamine;hydrochloride?
The IUPAC name of 2,2-dichloro-N-ethylethenamine;hydrochloride (CID 173449722) is 2,2-dichloro-N-ethylethenamine;hydrochloride.
What is the SMILES notation for 2,2-dichloro-N-ethylethenamine;hydrochloride?
The canonical SMILES for 2,2-dichloro-N-ethylethenamine;hydrochloride is CCNC=C(Cl)Cl.Cl.
What is the InChIKey of 2,2-dichloro-N-ethylethenamine;hydrochloride?
The InChIKey is ROEXIDIFQFAWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2N.ClH/c1-2-7-3-4(5)6;/h3,7H,2H2,1H3;1H.
What are the key properties of 2,2-dichloro-N-ethylethenamine;hydrochloride?
2,2-dichloro-N-ethylethenamine;hydrochloride has a molecular weight of 176.47 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethylethenamine;hydrochloride is sourced from PubChem (CID 173449722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).