(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol

C10H21NO2 — CID 94468479

IUPAC(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
SMILESC[C@H](O)CNC1(CO)CCCCC1
InChIInChI=1S/C10H21NO2/c1-9(13)7-11-10(8-12)5-3-2-4-6-10/h9,11-13H,2-8H2,1H3/t9-/m0/s1
InChIKeyLVQCIWJTFBFQNY-VIFPVBQESA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds4

About (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol

(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 94468479) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
PubChem CID94468479
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
SMILESC[C@H](O)CNC1(CO)CCCCC1
InChIInChI=1S/C10H21NO2/c1-9(13)7-11-10(8-12)5-3-2-4-6-10/h9,11-13H,2-8H2,1H3/t9-/m0/s1
InChIKeyLVQCIWJTFBFQNY-VIFPVBQESA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-1-[[1-(hydroxymethyl)cyclopropyl]amino]propan-2-ol
CID 106932611
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
CID 62520820
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
CID 63697255
1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 62522227
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
[8-(2-methylpropylamino)spiro[4.5]decan-8-yl]methanol
CID 114819869
[1-(3-methylbutylamino)cyclopentyl]methanol
CID 62523608
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid
CID 103249131
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62517581
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol (CID 94468479) is (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol is C[C@H](O)CNC1(CO)CCCCC1.
What is the InChIKey of (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is LVQCIWJTFBFQNY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(13)7-11-10(8-12)5-3-2-4-6-10/h9,11-13H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 94468479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).