4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol

C10H22N2O2 — CID 90069371

IUPAC4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol
SMILESCCNC1CC(O)C(O)CC1C(C)N
InChIInChI=1S/C10H22N2O2/c1-3-12-8-5-10(14)9(13)4-7(8)6(2)11/h6-10,12-14H,3-5,11H2,1-2H3
InChIKeyCBWKESFCNPCPMB-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.56
Rot. Bonds3

About 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol

4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol (PubChem CID 90069371) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol.

Molecular Properties

Compound Name4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol
PubChem CID90069371
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol
SMILESCCNC1CC(O)C(O)CC1C(C)N
InChIInChI=1S/C10H22N2O2/c1-3-12-8-5-10(14)9(13)4-7(8)6(2)11/h6-10,12-14H,3-5,11H2,1-2H3
InChIKeyCBWKESFCNPCPMB-UHFFFAOYSA-N
XLogP-0.56
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol?
The IUPAC name of 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol (CID 90069371) is 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol.
What is the SMILES notation for 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol?
The canonical SMILES for 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol is CCNC1CC(O)C(O)CC1C(C)N.
What is the InChIKey of 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol?
The InChIKey is CBWKESFCNPCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-12-8-5-10(14)9(13)4-7(8)6(2)11/h6-10,12-14H,3-5,11H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol?
4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol has a molecular weight of 202.30 g/mol, XLogP of -0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-5-(ethylamino)cyclohexane-1,2-diol is sourced from PubChem (CID 90069371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).