(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol

C11H24N2O2 — CID 83120398

IUPAC(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
SMILESCN(C)C1(CNC[C@H](O)CO)CCCC1
InChIInChI=1S/C11H24N2O2/c1-13(2)11(5-3-4-6-11)9-12-7-10(15)8-14/h10,12,14-15H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyLESRQWVDGGBUHL-JTQLQIEISA-N
MW216.32 g/mol
LogP-0.20
Rot. Bonds6

About (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol

(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol (PubChem CID 83120398) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
PubChem CID83120398
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
SMILESCN(C)C1(CNC[C@H](O)CO)CCCC1
InChIInChI=1S/C11H24N2O2/c1-13(2)11(5-3-4-6-11)9-12-7-10(15)8-14/h10,12,14-15H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyLESRQWVDGGBUHL-JTQLQIEISA-N
XLogP-0.20
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol
CID 107263150
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
methyl 2-bromo-3-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 103262330
2-amino-3-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 103268958
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442883
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
1-[(2-bromoprop-2-enylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 83121523
2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol
CID 81412002
1-(azepan-1-yl)-2-[[1-(dimethylamino)cyclopentyl]methylamino]ethanone
CID 78915392
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
ethyl 4-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-3-hydroxybutanoate
CID 103243157

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol (CID 83120398) is (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol is CN(C)C1(CNC[C@H](O)CO)CCCC1.
What is the InChIKey of (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol?
The InChIKey is LESRQWVDGGBUHL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O2/c1-13(2)11(5-3-4-6-11)9-12-7-10(15)8-14/h10,12,14-15H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol?
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol has a molecular weight of 216.32 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol is sourced from PubChem (CID 83120398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).