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

C6H14ClN — CID 155386259

IUPACN,3-dimethylbut-3-en-1-amine;hydrochloride
SMILESC=C(C)CCNC.Cl
InChIInChI=1S/C6H13N.ClH/c1-6(2)4-5-7-3;/h7H,1,4-5H2,2-3H3;1H
InChIKeyPSDHTRUNGJOEDZ-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.59
Rot. Bonds3

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

N,3-dimethylbut-3-en-1-amine;hydrochloride (PubChem CID 155386259) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is N,3-dimethylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,3-dimethylbut-3-en-1-amine;hydrochloride
PubChem CID155386259
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC NameN,3-dimethylbut-3-en-1-amine;hydrochloride
SMILESC=C(C)CCNC.Cl
InChIInChI=1S/C6H13N.ClH/c1-6(2)4-5-7-3;/h7H,1,4-5H2,2-3H3;1H
InChIKeyPSDHTRUNGJOEDZ-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-3-en-1-amine;1-methyl-3-(3-methylbut-3-enyl)cyclopentane
CID 143332988
N-methyl-3-methylidenepent-4-yn-1-amine
CID 156648407
N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine
CID 166852744
3-cyclopropyl-N-methylbut-3-en-1-amine
CID 117269164
N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
CID 114472547
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
N-(3-methylbut-3-enyl)propanamide
CID 89197899
(3Z)-7-(methylamino)-5-methylidenehepta-1,3-dien-2-ol
CID 143258823
1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine
CID 114472570
2-methyl-N-(3-methylbut-3-enyl)propanamide
CID 59532958
N,3,3,5-tetramethylhex-5-en-1-amine
CID 81023086
2-(3-methylbut-3-enylamino)-2-oxoacetic acid
CID 131228066

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-3-en-1-amine;hydrochloride?
The IUPAC name of N,3-dimethylbut-3-en-1-amine;hydrochloride (CID 155386259) is N,3-dimethylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for N,3-dimethylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for N,3-dimethylbut-3-en-1-amine;hydrochloride is C=C(C)CCNC.Cl.
What is the InChIKey of N,3-dimethylbut-3-en-1-amine;hydrochloride?
The InChIKey is PSDHTRUNGJOEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-6(2)4-5-7-3;/h7H,1,4-5H2,2-3H3;1H.
What are the key properties of N,3-dimethylbut-3-en-1-amine;hydrochloride?
N,3-dimethylbut-3-en-1-amine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 155386259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).