N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine

C12H21NO — CID 62079069

IUPACN-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c1-2-13-12(10-6-3-4-7-10)11-8-5-9-14-11/h6,11-13H,2-5,7-9H2,1H3
InChIKeyBHUBSBFSNNHZFA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds4

About N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine

N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine (PubChem CID 62079069) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine
PubChem CID62079069
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c1-2-13-12(10-6-3-4-7-10)11-8-5-9-14-11/h6,11-13H,2-5,7-9H2,1H3
InChIKeyBHUBSBFSNNHZFA-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine (CID 62079069) is N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine is CCNC(C1=CCCC1)C1CCCO1.
What is the InChIKey of N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine?
The InChIKey is BHUBSBFSNNHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-13-12(10-6-3-4-7-10)11-8-5-9-14-11/h6,11-13H,2-5,7-9H2,1H3.
What are the key properties of N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine?
N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 62079069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).