1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol

C14H30N2O2 — CID 62522227

IUPAC1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
SMILESCCN(CC)CC(O)CNC1(CO)CCCCC1
InChIInChI=1S/C14H30N2O2/c1-3-16(4-2)11-13(18)10-15-14(12-17)8-6-5-7-9-14/h13,15,17-18H,3-12H2,1-2H3
InChIKeyBGBHDVPIICPEPX-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.97
Rot. Bonds8

About 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol

1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 62522227) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
PubChem CID62522227
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
SMILESCCN(CC)CC(O)CNC1(CO)CCCCC1
InChIInChI=1S/C14H30N2O2/c1-3-16(4-2)11-13(18)10-15-14(12-17)8-6-5-7-9-14/h13,15,17-18H,3-12H2,1-2H3
InChIKeyBGBHDVPIICPEPX-UHFFFAOYSA-N
XLogP0.97
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol (CID 62522227) is 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol is CCN(CC)CC(O)CNC1(CO)CCCCC1.
What is the InChIKey of 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is BGBHDVPIICPEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-16(4-2)11-13(18)10-15-14(12-17)8-6-5-7-9-14/h13,15,17-18H,3-12H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 62522227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).