(E)-N,N-diethylbut-1-en-1-amine

C8H17N — CID 12664030

IUPAC(E)-N,N-diethylbut-1-en-1-amine
SMILESCC/C=C/N(CC)CC
InChIInChI=1S/C8H17N/c1-4-7-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyQQWSFINPSFBGMA-BQYQJAHWSA-N
MW127.23 g/mol
LogP2.25
Rot. Bonds4

About (E)-N,N-diethylbut-1-en-1-amine

(E)-N,N-diethylbut-1-en-1-amine (PubChem CID 12664030) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-N,N-diethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethylbut-1-en-1-amine
PubChem CID12664030
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-N,N-diethylbut-1-en-1-amine
SMILESCC/C=C/N(CC)CC
InChIInChI=1S/C8H17N/c1-4-7-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyQQWSFINPSFBGMA-BQYQJAHWSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethylbut-1-en-1-amine?
The IUPAC name of (E)-N,N-diethylbut-1-en-1-amine (CID 12664030) is (E)-N,N-diethylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,N-diethylbut-1-en-1-amine?
The canonical SMILES for (E)-N,N-diethylbut-1-en-1-amine is CC/C=C/N(CC)CC.
What is the InChIKey of (E)-N,N-diethylbut-1-en-1-amine?
The InChIKey is QQWSFINPSFBGMA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17N/c1-4-7-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-N,N-diethylbut-1-en-1-amine?
(E)-N,N-diethylbut-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethylbut-1-en-1-amine is sourced from PubChem (CID 12664030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).