1-(3-aminocyclohexyl)pyrrolidine-3,4-diol

C10H20N2O2 — CID 106674357

IUPAC1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
SMILESNC1CCCC(N2CC(O)C(O)C2)C1
InChIInChI=1S/C10H20N2O2/c11-7-2-1-3-8(4-7)12-5-9(13)10(14)6-12/h7-10,13-14H,1-6,11H2
InChIKeyDMCSBDPNAMEFNU-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.71
Rot. Bonds1

About 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol

1-(3-aminocyclohexyl)pyrrolidine-3,4-diol (PubChem CID 106674357) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
PubChem CID106674357
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
SMILESNC1CCCC(N2CC(O)C(O)C2)C1
InChIInChI=1S/C10H20N2O2/c11-7-2-1-3-8(4-7)12-5-9(13)10(14)6-12/h7-10,13-14H,1-6,11H2
InChIKeyDMCSBDPNAMEFNU-UHFFFAOYSA-N
XLogP-0.71
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexan-1-amine
CID 79467716
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
CID 79469057
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420
(3R)-3-piperazin-1-ylcyclohexan-1-amine
CID 143940037
1-[4-[(1S,3R)-3-aminocyclohexyl]piperazin-1-yl]ethanone
CID 169448440
1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile
CID 164658033
3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532352
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
CID 90132085
4-(3-aminocyclohexyl)piperazine-2,6-dione
CID 79469336
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 12783916
(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 79465987

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol (CID 106674357) is 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol is NC1CCCC(N2CC(O)C(O)C2)C1.
What is the InChIKey of 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol?
The InChIKey is DMCSBDPNAMEFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-7-2-1-3-8(4-7)12-5-9(13)10(14)6-12/h7-10,13-14H,1-6,11H2.
What are the key properties of 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol?
1-(3-aminocyclohexyl)pyrrolidine-3,4-diol has a molecular weight of 200.28 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).