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

C11H23NO2 — CID 66176972

IUPAC3-(cycloheptylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CCCCCC1
InChIInChI=1S/C11H23NO2/c13-9-11(14)8-12-7-10-5-3-1-2-4-6-10/h10-14H,1-9H2
InChIKeyHSHXSZAFLUJACF-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.90
Rot. Bonds5

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

3-(cycloheptylmethylamino)propane-1,2-diol (PubChem CID 66176972) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(cycloheptylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(cycloheptylmethylamino)propane-1,2-diol
PubChem CID66176972
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(cycloheptylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CCCCCC1
InChIInChI=1S/C11H23NO2/c13-9-11(14)8-12-7-10-5-3-1-2-4-6-10/h10-14H,1-9H2
InChIKeyHSHXSZAFLUJACF-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
CID 106132055
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883
3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
CID 76912799
4-[(2,3-dihydroxypropylamino)methyl]cyclohexane-1-carboxylic acid
CID 82849273
3-(cycloheptylmethylamino)-2-hydroxypropanamide
CID 106170462
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
2-cyclopentyl-N-(2,3-dihydroxypropyl)acetamide
CID 66175167
2-(cyclobutylmethylamino)-1-cyclopropylethanol
CID 65458042
3-(cyclododecylamino)propane-1,2-diol
CID 66175077

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethylamino)propane-1,2-diol?
The IUPAC name of 3-(cycloheptylmethylamino)propane-1,2-diol (CID 66176972) is 3-(cycloheptylmethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(cycloheptylmethylamino)propane-1,2-diol?
The canonical SMILES for 3-(cycloheptylmethylamino)propane-1,2-diol is OCC(O)CNCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethylamino)propane-1,2-diol?
The InChIKey is HSHXSZAFLUJACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c13-9-11(14)8-12-7-10-5-3-1-2-4-6-10/h10-14H,1-9H2.
What are the key properties of 3-(cycloheptylmethylamino)propane-1,2-diol?
3-(cycloheptylmethylamino)propane-1,2-diol has a molecular weight of 201.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethylamino)propane-1,2-diol is sourced from PubChem (CID 66176972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).