3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol

C12H26N2O2 — CID 82842720

IUPAC3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
SMILESCCNC1CCC(N(C)CC(O)CO)CC1
InChIInChI=1S/C12H26N2O2/c1-3-13-10-4-6-11(7-5-10)14(2)8-12(16)9-15/h10-13,15-16H,3-9H2,1-2H3
InChIKeyBIFNHJJCPVPITR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.19
Rot. Bonds6

About 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol

3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol (PubChem CID 82842720) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
PubChem CID82842720
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
SMILESCCNC1CCC(N(C)CC(O)CO)CC1
InChIInChI=1S/C12H26N2O2/c1-3-13-10-4-6-11(7-5-10)14(2)8-12(16)9-15/h10-13,15-16H,3-9H2,1-2H3
InChIKeyBIFNHJJCPVPITR-UHFFFAOYSA-N
XLogP0.19
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol?
The IUPAC name of 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol (CID 82842720) is 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol is CCNC1CCC(N(C)CC(O)CO)CC1.
What is the InChIKey of 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol?
The InChIKey is BIFNHJJCPVPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-13-10-4-6-11(7-5-10)14(2)8-12(16)9-15/h10-13,15-16H,3-9H2,1-2H3.
What are the key properties of 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol?
3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol has a molecular weight of 230.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol is sourced from PubChem (CID 82842720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).