2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol

C12H25NO2 — CID 103157267

IUPAC2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
SMILESCCC(CO)NCC(O)CC1CCCC1
InChIInChI=1S/C12H25NO2/c1-2-11(9-14)13-8-12(15)7-10-5-3-4-6-10/h10-15H,2-9H2,1H3
InChIKeyLFAIGSCTJJQGDC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.29
Rot. Bonds7

About 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol

2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 103157267) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
PubChem CID103157267
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
SMILESCCC(CO)NCC(O)CC1CCCC1
InChIInChI=1S/C12H25NO2/c1-2-11(9-14)13-8-12(15)7-10-5-3-4-6-10/h10-15H,2-9H2,1H3
InChIKeyLFAIGSCTJJQGDC-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-methylsulfanylbutan-1-ol
CID 106160676
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
CID 103158383
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
1-cyclopentyl-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propan-2-ol
CID 103157490

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol (CID 103157267) is 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol is CCC(CO)NCC(O)CC1CCCC1.
What is the InChIKey of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is LFAIGSCTJJQGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-11(9-14)13-8-12(15)7-10-5-3-4-6-10/h10-15H,2-9H2,1H3.
What are the key properties of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol?
2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 103157267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).