3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol

C14H29NO2 — CID 165498488

IUPAC3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCCOCCCN(C)C1CC(O)CCC1(C)C
InChIInChI=1S/C14H29NO2/c1-5-17-10-6-9-15(4)13-11-12(16)7-8-14(13,2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyQEBCRUZKSOYFEQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.28
Rot. Bonds6

About 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol

3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol (PubChem CID 165498488) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol
PubChem CID165498488
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCCOCCCN(C)C1CC(O)CCC1(C)C
InChIInChI=1S/C14H29NO2/c1-5-17-10-6-9-15(4)13-11-12(16)7-8-14(13,2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyQEBCRUZKSOYFEQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol
CID 165491174
3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490881
2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 102637350
3-[ethyl(2-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
CID 165491164
3-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165496084
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165498234
ethane;4-ethoxy-N,N-dimethylbutan-1-amine
CID 144519642
5-[[2-ethoxyethyl(methyl)amino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 81074491
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158
2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol
CID 156546413

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol (CID 165498488) is 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol is CCOCCCN(C)C1CC(O)CCC1(C)C.
What is the InChIKey of 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is QEBCRUZKSOYFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-17-10-6-9-15(4)13-11-12(16)7-8-14(13,2)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165498488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).