N,3-dimethylbut-2-en-1-amine;hydrochloride

C6H14ClN — CID 155386233

IUPACN,3-dimethylbut-2-en-1-amine;hydrochloride
SMILESCNCC=C(C)C.Cl
InChIInChI=1S/C6H13N.ClH/c1-6(2)4-5-7-3;/h4,7H,5H2,1-3H3;1H
InChIKeyQEQWCUCEQCTUTI-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.59
Rot. Bonds2

About N,3-dimethylbut-2-en-1-amine;hydrochloride

N,3-dimethylbut-2-en-1-amine;hydrochloride (PubChem CID 155386233) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is N,3-dimethylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,3-dimethylbut-2-en-1-amine;hydrochloride
PubChem CID155386233
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC NameN,3-dimethylbut-2-en-1-amine;hydrochloride
SMILESCNCC=C(C)C.Cl
InChIInChI=1S/C6H13N.ClH/c1-6(2)4-5-7-3;/h4,7H,5H2,1-3H3;1H
InChIKeyQEQWCUCEQCTUTI-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethylbut-2-en-1-amine
CID 12688299
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142828314
2-fluoro-N,5-dimethylhex-4-en-1-amine;hydrochloride
CID 122239914
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
(2S)-2-(3-methylbut-2-enylamino)propan-1-ol
CID 55300374
3-methyl-1-(sulfinatoamino)but-2-ene
CID 175175707
N-[(E)-4-chlorobut-2-enyl]-3-methylbut-2-en-1-amine
CID 106188446
N-(3-methylbut-2-enyl)oxetan-3-amine
CID 107900082

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-2-en-1-amine;hydrochloride?
The IUPAC name of N,3-dimethylbut-2-en-1-amine;hydrochloride (CID 155386233) is N,3-dimethylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for N,3-dimethylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for N,3-dimethylbut-2-en-1-amine;hydrochloride is CNCC=C(C)C.Cl.
What is the InChIKey of N,3-dimethylbut-2-en-1-amine;hydrochloride?
The InChIKey is QEQWCUCEQCTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-6(2)4-5-7-3;/h4,7H,5H2,1-3H3;1H.
What are the key properties of N,3-dimethylbut-2-en-1-amine;hydrochloride?
N,3-dimethylbut-2-en-1-amine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 155386233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).