4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol

C14H30N2O2 — CID 106132935

IUPAC4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol
SMILESCCN(CC)CC(O)CNCC1CCC(O)CC1
InChIInChI=1S/C14H30N2O2/c1-3-16(4-2)11-14(18)10-15-9-12-5-7-13(17)8-6-12/h12-15,17-18H,3-11H2,1-2H3
InChIKeyDWQZBWRPJWUGGW-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.83
Rot. Bonds8

About 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol

4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106132935) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol
PubChem CID106132935
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol
SMILESCCN(CC)CC(O)CNCC1CCC(O)CC1
InChIInChI=1S/C14H30N2O2/c1-3-16(4-2)11-14(18)10-15-9-12-5-7-13(17)8-6-12/h12-15,17-18H,3-11H2,1-2H3
InChIKeyDWQZBWRPJWUGGW-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295767
1-(diethylamino)-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014004
4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 114147912
4-[(2-methoxypropylamino)methyl]cyclohexan-1-ol
CID 106133687
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
1-(diethylamino)-3-[(1-ethylcyclobutyl)methylamino]propan-2-ol
CID 114108015
1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 55033366
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
1-(diethylamino)-3-[(1-methylcyclohexyl)methylamino]propan-2-ol
CID 114094874
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol (CID 106132935) is 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol is CCN(CC)CC(O)CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is DWQZBWRPJWUGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-16(4-2)11-14(18)10-15-9-12-5-7-13(17)8-6-12/h12-15,17-18H,3-11H2,1-2H3.
What are the key properties of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol?
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).