[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol

C14H29NO2 — CID 111757450

IUPAC[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCOCCCNC1(CO)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H29NO2/c1-12-8-13(2,3)10-14(9-12,11-16)15-6-5-7-17-4/h12,15-16H,5-11H2,1-4H3
InChIKeyJOTZYSOICZODIL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.19
Rot. Bonds6

About [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol

[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol (PubChem CID 111757450) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
PubChem CID111757450
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCOCCCNC1(CO)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H29NO2/c1-12-8-13(2,3)10-14(9-12,11-16)15-6-5-7-17-4/h12,15-16H,5-11H2,1-4H3
InChIKeyJOTZYSOICZODIL-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 62542038
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
CID 111757470
[3,3,5-trimethyl-1-[3-(1-methylpyrazol-4-yl)propylamino]cyclohexyl]methanol
CID 111757457
1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
CID 97238590
1-(2-methoxyethylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 61340491
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
N-[4-[3-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propylsulfonyl]phenyl]acetamide
CID 95785521
3-[2-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567138
3-[2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 96567141
1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
CID 103413064

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol?
The IUPAC name of [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol (CID 111757450) is [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol?
The canonical SMILES for [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol is COCCCNC1(CO)CC(C)CC(C)(C)C1.
What is the InChIKey of [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol?
The InChIKey is JOTZYSOICZODIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12-8-13(2,3)10-14(9-12,11-16)15-6-5-7-17-4/h12,15-16H,5-11H2,1-4H3.
What are the key properties of [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol?
[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol is sourced from PubChem (CID 111757450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).