(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride

C9H20ClN — CID 155386365

IUPAC(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride
SMILESCCN(/C=C/C(C)C)CC.Cl
InChIInChI=1S/C9H19N.ClH/c1-5-10(6-2)8-7-9(3)4;/h7-9H,5-6H2,1-4H3;1H/b8-7+;
InChIKeyLDESGCFBYJXNKZ-USRGLUTNSA-N
MW177.72 g/mol
LogP2.92
Rot. Bonds4

About (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride

(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride (PubChem CID 155386365) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride
PubChem CID155386365
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride
SMILESCCN(/C=C/C(C)C)CC.Cl
InChIInChI=1S/C9H19N.ClH/c1-5-10(6-2)8-7-9(3)4;/h7-9H,5-6H2,1-4H3;1H/b8-7+;
InChIKeyLDESGCFBYJXNKZ-USRGLUTNSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylbut-1-enyl)-N-pentylpentan-1-amine;hydrochloride
CID 155653006
(3R)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-1-en-1-amine
CID 54528175
(1E)-N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
CID 159412930
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
N-[diethylamino(3-methylbut-1-enyl)silyl]-N-ethylethanamine
CID 154509298
N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine
CID 89120905
N,N-diethyl-7-methoxy-3,7-dimethyloct-1-en-1-amine
CID 88680595
N,N,N',N'-tetraethyl-3-phenylprop-1-ene-1,3-diamine
CID 71391106
(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
CID 123394667
(E)-4-methylpent-2-ene;propane
CID 142019888
(E)-N,N-diethyl-2-isocyanoethenamine
CID 140761999
2-methyldodeca-3,6,9-triene
CID 141042273

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride?
The IUPAC name of (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride (CID 155386365) is (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride is CCN(/C=C/C(C)C)CC.Cl.
What is the InChIKey of (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride?
The InChIKey is LDESGCFBYJXNKZ-USRGLUTNSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-5-10(6-2)8-7-9(3)4;/h7-9H,5-6H2,1-4H3;1H/b8-7+;.
What are the key properties of (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride?
(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride is sourced from PubChem (CID 155386365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).