2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol

C16H31NO2 — CID 55094486

IUPAC2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)CC2CCCO2)C1
InChIInChI=1S/C16H31NO2/c1-3-5-13-7-8-16(18)14(10-13)11-17(2)12-15-6-4-9-19-15/h13-16,18H,3-12H2,1-2H3
InChIKeyDMYBVEQFQRLQQD-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.67
Rot. Bonds6

About 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol

2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 55094486) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID55094486
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)CC2CCCO2)C1
InChIInChI=1S/C16H31NO2/c1-3-5-13-7-8-16(18)14(10-13)11-17(2)12-15-6-4-9-19-15/h13-16,18H,3-12H2,1-2H3
InChIKeyDMYBVEQFQRLQQD-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol 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

1-[2-[4-(Cyclohexylmethyl)cyclohexyl]oxyethyl]pyrrolidin-3-ol
CID 140449675
[1-[2-[4-(Cyclohexylmethyl)cyclohexyl]oxyethyl]pyrrolidin-2-yl]methanol
CID 140449940
2-(1-Cyclohexyl-3-morpholin-4-ylpropyl)-4-methylcyclohexan-1-ol
CID 140468649
2-[[[1-(2-Methoxyethyl)piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 171442320
[1-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexyl]methanol
CID 55055183
2-[[Butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094247
4-Ethyl-2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclohexan-1-ol
CID 55094252
2-[[Bis(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094300
2-[(2,6-Dimethylmorpholin-4-yl)methyl]-4-methylcyclohexan-1-ol
CID 55094337
2-[(2,2-Dimethylmorpholin-4-yl)methyl]-4-methylcyclohexan-1-ol
CID 55094389
4-Ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol
CID 55094394
2-[[Cyclopropyl(2-methoxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094532

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol (CID 55094486) is 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)CC2CCCO2)C1.
What is the InChIKey of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is DMYBVEQFQRLQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-5-13-7-8-16(18)14(10-13)11-17(2)12-15-6-4-9-19-15/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55094486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).