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

C6H13N — CID 5365214

IUPAC(E)-N,N-dimethylbut-1-en-1-amine
SMILESCC/C=C/N(C)C
InChIInChI=1S/C6H13N/c1-4-5-6-7(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyXWAKKPDDQPWGAQ-AATRIKPKSA-N
MW99.18 g/mol
LogP1.47
Rot. Bonds2

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

(E)-N,N-dimethylbut-1-en-1-amine (PubChem CID 5365214) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (E)-N,N-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethylbut-1-en-1-amine
PubChem CID5365214
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(E)-N,N-dimethylbut-1-en-1-amine
SMILESCC/C=C/N(C)C
InChIInChI=1S/C6H13N/c1-4-5-6-7(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKeyXWAKKPDDQPWGAQ-AATRIKPKSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylbut-1-en-1-amine?
The IUPAC name of (E)-N,N-dimethylbut-1-en-1-amine (CID 5365214) is (E)-N,N-dimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethylbut-1-en-1-amine?
The canonical SMILES for (E)-N,N-dimethylbut-1-en-1-amine is CC/C=C/N(C)C.
What is the InChIKey of (E)-N,N-dimethylbut-1-en-1-amine?
The InChIKey is XWAKKPDDQPWGAQ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13N/c1-4-5-6-7(2)3/h5-6H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-N,N-dimethylbut-1-en-1-amine?
(E)-N,N-dimethylbut-1-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylbut-1-en-1-amine is sourced from PubChem (CID 5365214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).