2-chlorobut-2-en-1-amine

C4H8ClN — CID 123970893

IUPAC2-chlorobut-2-en-1-amine
SMILESCC=C(Cl)CN
InChIInChI=1S/C4H8ClN/c1-2-4(5)3-6/h2H,3,6H2,1H3
InChIKeyVDSGCNNEQKUZCC-UHFFFAOYSA-N
MW105.57 g/mol
LogP1.09
Rot. Bonds1

About 2-chlorobut-2-en-1-amine

2-chlorobut-2-en-1-amine (PubChem CID 123970893) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is 2-chlorobut-2-en-1-amine.

Molecular Properties

Compound Name2-chlorobut-2-en-1-amine
PubChem CID123970893
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC Name2-chlorobut-2-en-1-amine
SMILESCC=C(Cl)CN
InChIInChI=1S/C4H8ClN/c1-2-4(5)3-6/h2H,3,6H2,1H3
InChIKeyVDSGCNNEQKUZCC-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-chlorobut-2-en-1-ol
CID 15287200
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
1,1-dichloroprop-1-ene
CID 157073234
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
2-aminoethanethioyl chloride
CID 123300294
(E)-2-chlorobut-2-ene-1,3-diamine
CID 146384599
(Z)-2-chloro-N,N-dimethylbut-2-ene-1,4-diamine
CID 55284891
2-aminoacetyl chloride;hydrochloride
CID 15561435
2,3,3-trichloroprop-2-en-1-amine
CID 23452709
ethane;(Z)-2-methyliminopent-3-en-1-amine
CID 144600133
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069

Frequently Asked Questions

What is the IUPAC name of 2-chlorobut-2-en-1-amine?
The IUPAC name of 2-chlorobut-2-en-1-amine (CID 123970893) is 2-chlorobut-2-en-1-amine.
What is the SMILES notation for 2-chlorobut-2-en-1-amine?
The canonical SMILES for 2-chlorobut-2-en-1-amine is CC=C(Cl)CN.
What is the InChIKey of 2-chlorobut-2-en-1-amine?
The InChIKey is VDSGCNNEQKUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN/c1-2-4(5)3-6/h2H,3,6H2,1H3.
What are the key properties of 2-chlorobut-2-en-1-amine?
2-chlorobut-2-en-1-amine has a molecular weight of 105.57 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobut-2-en-1-amine is sourced from PubChem (CID 123970893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).