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

C12H21NO — CID 103580991

IUPAC2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine
SMILESC=C(CC)CNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO/c1-3-9(2)8-13-11-6-7-14-12(11)10-4-5-10/h10-13H,2-8H2,1H3
InChIKeyWCGLOXDCNOKXJT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds5

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

2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine (PubChem CID 103580991) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine
PubChem CID103580991
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine
SMILESC=C(CC)CNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO/c1-3-9(2)8-13-11-6-7-14-12(11)10-4-5-10/h10-13H,2-8H2,1H3
InChIKeyWCGLOXDCNOKXJT-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine (CID 103580991) is 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine is C=C(CC)CNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine?
The InChIKey is WCGLOXDCNOKXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-9(2)8-13-11-6-7-14-12(11)10-4-5-10/h10-13H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine?
2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methylidenebutyl)oxolan-3-amine is sourced from PubChem (CID 103580991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).