1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol

C13H27NO2 — CID 103157582

IUPAC1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol
SMILESCCOCC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-3-16-10-11(2)14-9-13(15)8-12-6-4-5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyWFENAPNMPFTZJU-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds8

About 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol

1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol (PubChem CID 103157582) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol
PubChem CID103157582
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol
SMILESCCOCC(C)NCC(O)CC1CCCC1
InChIInChI=1S/C13H27NO2/c1-3-16-10-11(2)14-9-13(15)8-12-6-4-5-7-12/h11-15H,3-10H2,1-2H3
InChIKeyWFENAPNMPFTZJU-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119031213
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CID 103157807
1-Cyclopentyl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935537
1-Cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol
CID 114127427
1-(3,3-difluorocyclopentyl)-3-ethoxy-N-ethylbutan-2-amine
CID 114224836
1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 114225750
3-(3-Butan-2-ylmorpholin-2-yl)propan-1-ol
CID 57108485
4-Cyclohexyl-3-(methylamino)butan-2-ol
CID 57918894
4-Cyclohexyl-3-(propan-2-ylamino)butan-2-ol
CID 57918924
N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine
CID 58384613
1-[2-[2-(2-Aminoethoxy)ethoxy]ethylamino]-3-methylpentadecan-2-ol
CID 58527636
4-(2-Methoxyethylamino)octan-2-ol
CID 59642210

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol (CID 103157582) is 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol is CCOCC(C)NCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol?
The InChIKey is WFENAPNMPFTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-16-10-11(2)14-9-13(15)8-12-6-4-5-7-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol?
1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-ethoxypropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 103157582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).