(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol

C10H21NO — CID 94524291

IUPAC(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)C1CCCC1
InChIInChI=1S/C10H21NO/c1-8(12)7-11-9(2)10-5-3-4-6-10/h8-12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyJLTIILRGLSWGCV-BDAKNGLRSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds4

About (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol

(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol (PubChem CID 94524291) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
PubChem CID94524291
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)C1CCCC1
InChIInChI=1S/C10H21NO/c1-8(12)7-11-9(2)10-5-3-4-6-10/h8-12H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyJLTIILRGLSWGCV-BDAKNGLRSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 93082136
5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
CID 111755682
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81393172
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904275
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
(2S)-N-[(1R)-1-cyclohexylethyl]-2-methylbutan-1-amine
CID 94431803
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81396165
N-cyclopentyl-2-(2-hydroxypropylamino)propanamide
CID 43389370

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol (CID 94524291) is (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol is C[C@H](NC[C@@H](C)O)C1CCCC1.
What is the InChIKey of (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol?
The InChIKey is JLTIILRGLSWGCV-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(12)7-11-9(2)10-5-3-4-6-10/h8-12H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol?
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol is sourced from PubChem (CID 94524291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).