4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride

C7H17Cl2N — CID 173093257

IUPAC4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride
SMILESC=CCCCl.CN(C)C.Cl
InChIInChI=1S/C4H7Cl.C3H9N.ClH/c1-2-3-4-5;1-4(2)3;/h2H,1,3-4H2;1-3H3;1H
InChIKeyRWWGAUHINMNMLH-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.40
Rot. Bonds2

About 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride

4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride (PubChem CID 173093257) has the molecular formula C7H17Cl2N and a molecular weight of 186.13 g/mol. Its IUPAC name is 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride
PubChem CID173093257
Molecular FormulaC7H17Cl2N
Molecular Weight186.13 g/mol
Exact Mass185.07
IUPAC Name4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride
SMILESC=CCCCl.CN(C)C.Cl
InChIInChI=1S/C4H7Cl.C3H9N.ClH/c1-2-3-4-5;1-4(2)3;/h2H,1,3-4H2;1-3H3;1H
InChIKeyRWWGAUHINMNMLH-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174687261
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3-chloroprop-1-ene;prop-1-ene;hydrochloride
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3-chloro-N-methyl-N-prop-2-enylpropan-1-amine
CID 94252089
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CID 161382891
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
N-(2-chloroethyl)but-3-en-1-amine
CID 55287315
1-chloroprop-1-ene;hexa-1,5-diene
CID 174915187
N,N-dimethylprop-2-en-1-amine;gold;dihydrochloride
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(111C)pent-1-ene
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CID 170105765

Frequently Asked Questions

What is the IUPAC name of 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride (CID 173093257) is 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride is C=CCCCl.CN(C)C.Cl.
What is the InChIKey of 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride?
The InChIKey is RWWGAUHINMNMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl.C3H9N.ClH/c1-2-3-4-5;1-4(2)3;/h2H,1,3-4H2;1-3H3;1H.
What are the key properties of 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride?
4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride has a molecular weight of 186.13 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobut-1-ene;N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 173093257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).