1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol

C15H31NO3 — CID 106992167

IUPAC1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31NO3/c1-15(2)7-5-13(6-8-15)16(3)11-14(17)12-19-10-9-18-4/h13-14,17H,5-12H2,1-4H3
InChIKeyXZQJDZDHGKESPZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.91
Rot. Bonds8

About 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol

1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992167) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992167
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31NO3/c1-15(2)7-5-13(6-8-15)16(3)11-14(17)12-19-10-9-18-4/h13-14,17H,5-12H2,1-4H3
InChIKeyXZQJDZDHGKESPZ-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 107263935
1-(2-methoxyethoxy)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 106992193
4-[(4,4-dimethylcyclohexyl)-methylamino]-3-hydroxybutanoic acid
CID 82770933
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992271
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
4-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]oxolane-3-carboxylic acid
CID 106991480
1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992282
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
CID 63928214

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol (CID 106992167) is 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN(C)C1CCC(C)(C)CC1.
What is the InChIKey of 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is XZQJDZDHGKESPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-15(2)7-5-13(6-8-15)16(3)11-14(17)12-19-10-9-18-4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).