2-(cyclopentylamino)-2-ethylpropane-1,3-diol

C10H21NO2 — CID 115924300

IUPAC2-(cyclopentylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1CCCC1
InChIInChI=1S/C10H21NO2/c1-2-10(7-12,8-13)11-9-5-3-4-6-9/h9,11-13H,2-8H2,1H3
InChIKeyHBXAALGWLIVCJL-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds5

About 2-(cyclopentylamino)-2-ethylpropane-1,3-diol

2-(cyclopentylamino)-2-ethylpropane-1,3-diol (PubChem CID 115924300) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-ethylpropane-1,3-diol
PubChem CID115924300
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(cyclopentylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1CCCC1
InChIInChI=1S/C10H21NO2/c1-2-10(7-12,8-13)11-9-5-3-4-6-9/h9,11-13H,2-8H2,1H3
InChIKeyHBXAALGWLIVCJL-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(thian-4-ylamino)propane-1,3-diol
CID 115924302
2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol
CID 115927628
2-[(4-tert-butylcycloheptyl)amino]-2-ethylpropane-1,3-diol
CID 103933708
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-ethylpropane-1,3-diol
CID 103935645
2-[(3-aminocyclohexyl)amino]-2-ethylpropane-1,3-diol
CID 107864835
2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
CID 115924310
2-[(1,1-dioxothian-4-yl)amino]-2-ethylbutan-1-ol
CID 62519087
1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 79493195
5-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)-2-ethylpentan-1-ol
CID 106809250
2-(cyclopentylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 114010606
2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 114868630
2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
CID 106810706

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(cyclopentylamino)-2-ethylpropane-1,3-diol (CID 115924300) is 2-(cyclopentylamino)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(cyclopentylamino)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(cyclopentylamino)-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-2-ethylpropane-1,3-diol?
The InChIKey is HBXAALGWLIVCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-10(7-12,8-13)11-9-5-3-4-6-9/h9,11-13H,2-8H2,1H3.
What are the key properties of 2-(cyclopentylamino)-2-ethylpropane-1,3-diol?
2-(cyclopentylamino)-2-ethylpropane-1,3-diol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 115924300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).