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

C9H19N — CID 13203915

IUPAC(E)-N,N-diethyl-3-methylbut-1-en-1-amine
SMILESCCN(/C=C/C(C)C)CC
InChIInChI=1S/C9H19N/c1-5-10(6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyVZCLQTHWJYNSOA-BQYQJAHWSA-N
MW141.26 g/mol
LogP2.50
Rot. Bonds4

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

(E)-N,N-diethyl-3-methylbut-1-en-1-amine (PubChem CID 13203915) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-methylbut-1-en-1-amine
PubChem CID13203915
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,N-diethyl-3-methylbut-1-en-1-amine
SMILESCCN(/C=C/C(C)C)CC
InChIInChI=1S/C9H19N/c1-5-10(6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyVZCLQTHWJYNSOA-BQYQJAHWSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Buten-1-amine, N,N-dipropyl-
CID 575133
(E)-1-(3-methylbut-1-en-1-yl)pyrrolidine
CID 10866408
1,4-Dihydro-1,4-dimethylpyridine
CID 12220928
(E)-N,N-diethylbut-1-en-1-amine
CID 12664030
dimethyl-[(E)-3-methyl-but-1-enyl]-amine
CID 13611575
N-dimethylaminohexene
CID 22930926
N,N-dimethylamino-hexene
CID 74010643
Diethyl(hexenyl)amine
CID 85686831
(E)-N,N-diethylhex-1-en-1-amine
CID 87119704
N-[(E)-but-1-enyl]-N-butylbutan-1-amine
CID 11389777
Mirogabalin Impurity 123
CID 5370462
(E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine
CID 15063983

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-methylbut-1-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3-methylbut-1-en-1-amine (CID 13203915) is (E)-N,N-diethyl-3-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-methylbut-1-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3-methylbut-1-en-1-amine is CCN(/C=C/C(C)C)CC.
What is the InChIKey of (E)-N,N-diethyl-3-methylbut-1-en-1-amine?
The InChIKey is VZCLQTHWJYNSOA-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H19N/c1-5-10(6-2)8-7-9(3)4/h7-9H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-N,N-diethyl-3-methylbut-1-en-1-amine?
(E)-N,N-diethyl-3-methylbut-1-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.50, 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 is sourced from PubChem (CID 13203915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).