N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine

C12H23NO — CID 61344284

IUPACN-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CCCC1)C1CCCO1
InChIInChI=1S/C12H23NO/c1-10(12-7-4-8-14-12)13-9-11-5-2-3-6-11/h10-13H,2-9H2,1H3
InChIKeyGGXLGVCLAIBPKQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds4

About N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine

N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 61344284) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID61344284
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1CCCC1)C1CCCO1
InChIInChI=1S/C12H23NO/c1-10(12-7-4-8-14-12)13-9-11-5-2-3-6-11/h10-13H,2-9H2,1H3
InChIKeyGGXLGVCLAIBPKQ-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine (CID 61344284) is N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine is CC(NCC1CCCC1)C1CCCO1.
What is the InChIKey of N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is GGXLGVCLAIBPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(12-7-4-8-14-12)13-9-11-5-2-3-6-11/h10-13H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine?
N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61344284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).