N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine

C12H21NO — CID 164651458

IUPACN-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC1CC=CC1
InChIInChI=1S/C12H21NO/c1-10-12(2,7-8-14-10)13-9-11-5-3-4-6-11/h3-4,10-11,13H,5-9H2,1-2H3
InChIKeyVAQSPKUZXBJOBZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine

N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine (PubChem CID 164651458) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine
PubChem CID164651458
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC1CC=CC1
InChIInChI=1S/C12H21NO/c1-10-12(2,7-8-14-10)13-9-11-5-3-4-6-11/h3-4,10-11,13H,5-9H2,1-2H3
InChIKeyVAQSPKUZXBJOBZ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine (CID 164651458) is N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCC1CC=CC1.
What is the InChIKey of N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is VAQSPKUZXBJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-12(2,7-8-14-10)13-9-11-5-3-4-6-11/h3-4,10-11,13H,5-9H2,1-2H3.
What are the key properties of N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine?
N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 164651458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).