2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol

C12H25NO2 — CID 115924310

IUPAC2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
SMILESCCC1CCC(NC(CC)(CO)CO)C1
InChIInChI=1S/C12H25NO2/c1-3-10-5-6-11(7-10)13-12(4-2,8-14)9-15/h10-11,13-15H,3-9H2,1-2H3
InChIKeyJAEKIKKEMQEASH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.29
Rot. Bonds6

About 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol

2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol (PubChem CID 115924310) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
PubChem CID115924310
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
SMILESCCC1CCC(NC(CC)(CO)CO)C1
InChIInChI=1S/C12H25NO2/c1-3-10-5-6-11(7-10)13-12(4-2,8-14)9-15/h10-11,13-15H,3-9H2,1-2H3
InChIKeyJAEKIKKEMQEASH-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
CID 107864835
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol
CID 103935645
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-ethyl-2-(thian-4-ylamino)propane-1,3-diol
CID 115924302
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708
2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
CID 64807526
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907205
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106809879
2-(2-adamantylamino)-2-ethylpropane-1,3-diol
CID 103935710

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol (CID 115924310) is 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol is CCC1CCC(NC(CC)(CO)CO)C1.
What is the InChIKey of 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol?
The InChIKey is JAEKIKKEMQEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-10-5-6-11(7-10)13-12(4-2,8-14)9-15/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol?
2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol is sourced from PubChem (CID 115924310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).