3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

C14H29NO2 — CID 165496084

IUPAC3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCCOCCN(C)C1CC(O)CCC1C(C)C
InChIInChI=1S/C14H29NO2/c1-5-17-9-8-15(4)14-10-12(16)6-7-13(14)11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeySMGDTRCDGKDETF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds6

About 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165496084) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165496084
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCCOCCN(C)C1CC(O)CCC1C(C)C
InChIInChI=1S/C14H29NO2/c1-5-17-9-8-15(4)14-10-12(16)6-7-13(14)11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeySMGDTRCDGKDETF-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-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

3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490881
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
3-[cyclopropyl(propyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490869
3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490941
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158
N-(2-dihydroxyphosphinothioyloxyethyl)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine
CID 18978140
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
3-[butyl(methyl)amino]-4-ethylcyclohexan-1-ol
CID 165497432
3-[2-methoxyethyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496233

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165496084) is 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is CCOCCN(C)C1CC(O)CCC1C(C)C.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is SMGDTRCDGKDETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-17-9-8-15(4)14-10-12(16)6-7-13(14)11(2)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165496084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).