3-methylbut-1-en-1-amine

C5H11N — CID 53405416

IUPAC3-methylbut-1-en-1-amine
SMILESCC(C)C=CN
InChIInChI=1S/C5H11N/c1-5(2)3-4-6/h3-5H,6H2,1-2H3
InChIKeyNIUYHRXMNKYURX-UHFFFAOYSA-N
MW85.15 g/mol
LogP1.11
Rot. Bonds1

About 3-methylbut-1-en-1-amine

3-methylbut-1-en-1-amine (PubChem CID 53405416) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name3-methylbut-1-en-1-amine
PubChem CID53405416
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name3-methylbut-1-en-1-amine
SMILESCC(C)C=CN
InChIInChI=1S/C5H11N/c1-5(2)3-4-6/h3-5H,6H2,1-2H3
InChIKeyNIUYHRXMNKYURX-UHFFFAOYSA-N
XLogP1.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-en-1-amine?
The IUPAC name of 3-methylbut-1-en-1-amine (CID 53405416) is 3-methylbut-1-en-1-amine.
What is the SMILES notation for 3-methylbut-1-en-1-amine?
The canonical SMILES for 3-methylbut-1-en-1-amine is CC(C)C=CN.
What is the InChIKey of 3-methylbut-1-en-1-amine?
The InChIKey is NIUYHRXMNKYURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-5(2)3-4-6/h3-5H,6H2,1-2H3.
What are the key properties of 3-methylbut-1-en-1-amine?
3-methylbut-1-en-1-amine has a molecular weight of 85.15 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-en-1-amine is sourced from PubChem (CID 53405416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).