3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine

C10H19NO — CID 103604742

IUPAC3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine
SMILESCC(C)=CCNCC1CCCO1
InChIInChI=1S/C10H19NO/c1-9(2)5-6-11-8-10-4-3-7-12-10/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyAMIKEVBVAPLYLW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine

3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine (PubChem CID 103604742) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine
PubChem CID103604742
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine
SMILESCC(C)=CCNCC1CCCO1
InChIInChI=1S/C10H19NO/c1-9(2)5-6-11-8-10-4-3-7-12-10/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyAMIKEVBVAPLYLW-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine (CID 103604742) is 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine is CC(C)=CCNCC1CCCO1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine?
The InChIKey is AMIKEVBVAPLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-6-11-8-10-4-3-7-12-10/h5,10-11H,3-4,6-8H2,1-2H3.
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine?
3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)but-2-en-1-amine is sourced from PubChem (CID 103604742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).