2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine

C12H21NO — CID 103580871

IUPAC2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine
SMILESCC(C)=CCNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO/c1-9(2)5-7-13-11-6-8-14-12(11)10-3-4-10/h5,10-13H,3-4,6-8H2,1-2H3
InChIKeyYRYTVRNACQOZLX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds4

About 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine

2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine (PubChem CID 103580871) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine
PubChem CID103580871
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine
SMILESCC(C)=CCNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO/c1-9(2)5-7-13-11-6-8-14-12(11)10-3-4-10/h5,10-13H,3-4,6-8H2,1-2H3
InChIKeyYRYTVRNACQOZLX-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-methylbut-2-enyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine (CID 103580871) is 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine is CC(C)=CCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine?
The InChIKey is YRYTVRNACQOZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)5-7-13-11-6-8-14-12(11)10-3-4-10/h5,10-13H,3-4,6-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine?
2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-methylbut-2-enyl)oxolan-3-amine is sourced from PubChem (CID 103580871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).