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

C15H31NO2 — CID 165490881

IUPAC3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCCOCCCN(C)C1CC(O)CCC1C(C)C
InChIInChI=1S/C15H31NO2/c1-5-18-10-6-9-16(4)15-11-13(17)7-8-14(15)12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyFVIVEWVJLOWSMB-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.53
Rot. Bonds7

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

3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490881) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490881
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCCOCCCN(C)C1CC(O)CCC1C(C)C
InChIInChI=1S/C15H31NO2/c1-5-18-10-6-9-16(4)15-11-13(17)7-8-14(15)12(2)3/h12-15,17H,5-11H2,1-4H3
InChIKeyFVIVEWVJLOWSMB-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.53
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-[2-ethoxyethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165496084
3-[cyclopropyl(propyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490869
3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165498234
3-[3-ethoxypropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol
CID 165498488
3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490941
3-[butyl(methyl)amino]-4-ethylcyclohexan-1-ol
CID 165497432
2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 102637350
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158
(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
N-(2-dihydroxyphosphinothioyloxyethyl)-N,5-dimethyl-2-propan-2-ylcyclohexan-1-amine
CID 18978140
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165490881) is 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is CCOCCCN(C)C1CC(O)CCC1C(C)C.
What is the InChIKey of 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is FVIVEWVJLOWSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-18-10-6-9-16(4)15-11-13(17)7-8-14(15)12(2)3/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.53, 7 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).