(3-ethylcyclopentyl)-(oxolan-3-yl)methanamine

C12H23NO — CID 65411006

IUPAC(3-ethylcyclopentyl)-(oxolan-3-yl)methanamine
SMILESCCC1CCC(C(N)C2CCOC2)C1
InChIInChI=1S/C12H23NO/c1-2-9-3-4-10(7-9)12(13)11-5-6-14-8-11/h9-12H,2-8,13H2,1H3
InChIKeyAKLFCABBTSHECI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds3

About (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine

(3-ethylcyclopentyl)-(oxolan-3-yl)methanamine (PubChem CID 65411006) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-(oxolan-3-yl)methanamine
PubChem CID65411006
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3-ethylcyclopentyl)-(oxolan-3-yl)methanamine
SMILESCCC1CCC(C(N)C2CCOC2)C1
InChIInChI=1S/C12H23NO/c1-2-9-3-4-10(7-9)12(13)11-5-6-14-8-11/h9-12H,2-8,13H2,1H3
InChIKeyAKLFCABBTSHECI-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
5-Methyl-1-(oxolan-2-yl)hexan-3-amine
CID 13029349
2-Butan-2-yl-4,5-dimethyloxolan-3-amine
CID 59025329
1-(6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl)propan-2-amine
CID 130393731
1-[5-(2-Methylpropyl)oxolan-2-yl]propan-2-amine
CID 130464357
3-(Oxolan-2-yl)butan-2-amine
CID 130577762
1-Ethoxy-5-ethyloctan-4-amine
CID 139313408
2-Methyl-6-(oxolan-3-yl)hexan-3-amine
CID 142653874
1-(3,4,5-Trimethyloxolan-2-yl)propan-2-amine
CID 163557055
2-Butyl-7-ethoxyheptane-1,5-diamine
CID 164046474
(2S)-5-[(3S)-oxolan-3-yl]pentan-2-amine
CID 169664466

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine (CID 65411006) is (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine is CCC1CCC(C(N)C2CCOC2)C1.
What is the InChIKey of (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine?
The InChIKey is AKLFCABBTSHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-9-3-4-10(7-9)12(13)11-5-6-14-8-11/h9-12H,2-8,13H2,1H3.
What are the key properties of (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine?
(3-ethylcyclopentyl)-(oxolan-3-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 65411006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).