1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride

C13H28ClNO4 — CID 18592912

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCCC1OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C13H27NO4.ClH/c1-11-3-2-4-13(11)18-10-12(17)9-14(5-7-15)6-8-16;/h11-13,15-17H,2-10H2,1H3;1H
InChIKeyDFHJFPHMTHTKSZ-UHFFFAOYSA-N
MW297.82 g/mol
LogP0.26
Rot. Bonds9

About 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride

1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride (PubChem CID 18592912) has the molecular formula C13H28ClNO4 and a molecular weight of 297.82 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride
PubChem CID18592912
Molecular FormulaC13H28ClNO4
Molecular Weight297.82 g/mol
Exact Mass297.17
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCCC1OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C13H27NO4.ClH/c1-11-3-2-4-13(11)18-10-12(17)9-14(5-7-15)6-8-16;/h11-13,15-17H,2-10H2,1H3;1H
InChIKeyDFHJFPHMTHTKSZ-UHFFFAOYSA-N
XLogP0.26
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.82
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propanol, 1-(dimethylamino)-3-[(2-ethylhexyl)oxy]-
CID 44144791
3-(2-Methylcyclopentyloxy)-1-piperidylpropan-2-ol
CID 16456363
3-[Bis(2-hydroxyethyl)amino]-1-(2-methylcyclopentyloxy)propan-2-ol
CID 16456359
1-((2-Methylcyclopentyl)oxy)-3-morpholinopropan-2-ol hydrochloride
CID 18592902
1-((2-Methylcyclopentyl)oxy)-3-(piperidin-1-yl)propan-2-ol hydrochloride
CID 18592904
1-(3,5-Dimethylpiperidin-1-YL)-3-[(2-methylcyclopentyl)oxy]propan-2-OL hydrochloride
CID 18592905
1-(2,6-Dimethylmorpholino)-3-((2-methylcyclopentyl)oxy)propan-2-ol hydrochloride
CID 18592906
1-((2-Methylcyclopentyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18592907
1-(4-Ethylpiperazin-1-yl)-3-((2-methylcyclopentyl)oxy)propan-2-ol dihydrochloride
CID 18592923
1-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-((2-methylcyclopentyl)oxy)propan-2-ol dihydrochloride
CID 18592924
1,1'-[(2-Ethylhexyl)azanediyl]bis{3-[(2-ethylhexyl)oxy]propan-2-ol}
CID 71356549
1-(Tert-butylamino)-3-((2-methylcyclopentyl)oxy)propan-2-ol hydrochloride
CID 18592913

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride (CID 18592912) is 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride is CC1CCCC1OCC(O)CN(CCO)CCO.Cl.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
The InChIKey is DFHJFPHMTHTKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4.ClH/c1-11-3-2-4-13(11)18-10-12(17)9-14(5-7-15)6-8-16;/h11-13,15-17H,2-10H2,1H3;1H.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride?
1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride has a molecular weight of 297.82 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylcyclopentyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 18592912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).