N-ethenyl-N-methylbut-1-en-2-amine

C7H13N — CID 134481091

IUPACN-ethenyl-N-methylbut-1-en-2-amine
SMILESC=CN(C)C(=C)CC
InChIInChI=1S/C7H13N/c1-5-7(3)8(4)6-2/h6H,2-3,5H2,1,4H3
InChIKeyHRJIRIRACPLRSZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.99
Rot. Bonds3

About N-ethenyl-N-methylbut-1-en-2-amine

N-ethenyl-N-methylbut-1-en-2-amine (PubChem CID 134481091) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-ethenyl-N-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-methylbut-1-en-2-amine
PubChem CID134481091
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-ethenyl-N-methylbut-1-en-2-amine
SMILESC=CN(C)C(=C)CC
InChIInChI=1S/C7H13N/c1-5-7(3)8(4)6-2/h6H,2-3,5H2,1,4H3
InChIKeyHRJIRIRACPLRSZ-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methylbut-1-en-2-amine?
The IUPAC name of N-ethenyl-N-methylbut-1-en-2-amine (CID 134481091) is N-ethenyl-N-methylbut-1-en-2-amine.
What is the SMILES notation for N-ethenyl-N-methylbut-1-en-2-amine?
The canonical SMILES for N-ethenyl-N-methylbut-1-en-2-amine is C=CN(C)C(=C)CC.
What is the InChIKey of N-ethenyl-N-methylbut-1-en-2-amine?
The InChIKey is HRJIRIRACPLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-7(3)8(4)6-2/h6H,2-3,5H2,1,4H3.
What are the key properties of N-ethenyl-N-methylbut-1-en-2-amine?
N-ethenyl-N-methylbut-1-en-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylbut-1-en-2-amine is sourced from PubChem (CID 134481091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).