2-methyl-N-(2-methylidenebutyl)oxolan-3-amine

C10H19NO — CID 82725869

IUPAC2-methyl-N-(2-methylidenebutyl)oxolan-3-amine
SMILESC=C(CC)CNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-4-8(2)7-11-10-5-6-12-9(10)3/h9-11H,2,4-7H2,1,3H3
InChIKeyQRTWKTPBGDXDSB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine

2-methyl-N-(2-methylidenebutyl)oxolan-3-amine (PubChem CID 82725869) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylidenebutyl)oxolan-3-amine
PubChem CID82725869
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-N-(2-methylidenebutyl)oxolan-3-amine
SMILESC=C(CC)CNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-4-8(2)7-11-10-5-6-12-9(10)3/h9-11H,2,4-7H2,1,3H3
InChIKeyQRTWKTPBGDXDSB-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine (CID 82725869) is 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine is C=C(CC)CNC1CCOC1C.
What is the InChIKey of 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine?
The InChIKey is QRTWKTPBGDXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(2)7-11-10-5-6-12-9(10)3/h9-11H,2,4-7H2,1,3H3.
What are the key properties of 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine?
2-methyl-N-(2-methylidenebutyl)oxolan-3-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 2-methyl-N-(2-methylidenebutyl)oxolan-3-amine is sourced from PubChem (CID 82725869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).