N-but-2-ynyl-2-cyclopropyloxolan-3-amine

C11H17NO — CID 103580655

IUPACN-but-2-ynyl-2-cyclopropyloxolan-3-amine
SMILESCC#CCNC1CCOC1C1CC1
InChIInChI=1S/C11H17NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h9-12H,4-8H2,1H3
InChIKeyUDOHVCUCEKTISO-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.17
Rot. Bonds3

About N-but-2-ynyl-2-cyclopropyloxolan-3-amine

N-but-2-ynyl-2-cyclopropyloxolan-3-amine (PubChem CID 103580655) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-but-2-ynyl-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-but-2-ynyl-2-cyclopropyloxolan-3-amine
PubChem CID103580655
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-but-2-ynyl-2-cyclopropyloxolan-3-amine
SMILESCC#CCNC1CCOC1C1CC1
InChIInChI=1S/C11H17NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h9-12H,4-8H2,1H3
InChIKeyUDOHVCUCEKTISO-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-2-ynyl-2-cyclopropyloxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-but-2-ynyl-2-cyclopropyloxolan-3-amine (CID 103580655) is N-but-2-ynyl-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-but-2-ynyl-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-but-2-ynyl-2-cyclopropyloxolan-3-amine is CC#CCNC1CCOC1C1CC1.
What is the InChIKey of N-but-2-ynyl-2-cyclopropyloxolan-3-amine?
The InChIKey is UDOHVCUCEKTISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h9-12H,4-8H2,1H3.
What are the key properties of N-but-2-ynyl-2-cyclopropyloxolan-3-amine?
N-but-2-ynyl-2-cyclopropyloxolan-3-amine has a molecular weight of 179.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).