3-(1-cyclohexylpropylamino)propane-1,2-diol

C12H25NO2 — CID 76943229

IUPAC3-(1-cyclohexylpropylamino)propane-1,2-diol
SMILESCCC(NCC(O)CO)C1CCCCC1
InChIInChI=1S/C12H25NO2/c1-2-12(13-8-11(15)9-14)10-6-4-3-5-7-10/h10-15H,2-9H2,1H3
InChIKeyDBTQNOUXXLWCRK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.29
Rot. Bonds6

About 3-(1-cyclohexylpropylamino)propane-1,2-diol

3-(1-cyclohexylpropylamino)propane-1,2-diol (PubChem CID 76943229) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(1-cyclohexylpropylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-cyclohexylpropylamino)propane-1,2-diol
PubChem CID76943229
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(1-cyclohexylpropylamino)propane-1,2-diol
SMILESCCC(NCC(O)CO)C1CCCCC1
InChIInChI=1S/C12H25NO2/c1-2-12(13-8-11(15)9-14)10-6-4-3-5-7-10/h10-15H,2-9H2,1H3
InChIKeyDBTQNOUXXLWCRK-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-amino-3-(1-cyclohexylpropylamino)propanoic acid
CID 103249979
2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
2-(1-cyclohexylpropylamino)propan-1-ol
CID 115724810
1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
CID 63490367
1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol
CID 62406299
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpropylamino)propane-1,2-diol?
The IUPAC name of 3-(1-cyclohexylpropylamino)propane-1,2-diol (CID 76943229) is 3-(1-cyclohexylpropylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1-cyclohexylpropylamino)propane-1,2-diol?
The canonical SMILES for 3-(1-cyclohexylpropylamino)propane-1,2-diol is CCC(NCC(O)CO)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylpropylamino)propane-1,2-diol?
The InChIKey is DBTQNOUXXLWCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-12(13-8-11(15)9-14)10-6-4-3-5-7-10/h10-15H,2-9H2,1H3.
What are the key properties of 3-(1-cyclohexylpropylamino)propane-1,2-diol?
3-(1-cyclohexylpropylamino)propane-1,2-diol has a molecular weight of 215.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropylamino)propane-1,2-diol is sourced from PubChem (CID 76943229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).