(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol

C10H21NO2 — CID 143031669

IUPAC(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol
SMILESCN[C@H](CC(O)O)C1CCCCC1
InChIInChI=1S/C10H21NO2/c1-11-9(7-10(12)13)8-5-3-2-4-6-8/h8-13H,2-7H2,1H3/t9-/m1/s1
InChIKeyBOKIBAFDYFUIPE-SECBINFHSA-N
MW187.28 g/mol
LogP0.86
Rot. Bonds4

About (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol

(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol (PubChem CID 143031669) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol
PubChem CID143031669
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol
SMILESCN[C@H](CC(O)O)C1CCCCC1
InChIInChI=1S/C10H21NO2/c1-11-9(7-10(12)13)8-5-3-2-4-6-8/h8-13H,2-7H2,1H3/t9-/m1/s1
InChIKeyBOKIBAFDYFUIPE-SECBINFHSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]azetidin-3-ol
CID 67773410
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
1-[2-cyclopentyl-2-(methylamino)ethyl]azetidin-3-ol
CID 67772010
1-chloro-1-cyclohexyl-N-methylmethanamine
CID 116962166
4-cyclobutyl-4-(methylamino)butan-1-ol
CID 116953044
1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine
CID 115346257
2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
CID 104749178
1-cyclopropyl-3-ethyl-N-methylpentan-1-amine
CID 82922957
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol?
The IUPAC name of (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol (CID 143031669) is (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol.
What is the SMILES notation for (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol?
The canonical SMILES for (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol is CN[C@H](CC(O)O)C1CCCCC1.
What is the InChIKey of (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol?
The InChIKey is BOKIBAFDYFUIPE-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-11-9(7-10(12)13)8-5-3-2-4-6-8/h8-13H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol?
(3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol has a molecular weight of 187.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-3-(methylamino)propane-1,1-diol is sourced from PubChem (CID 143031669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).