[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol

C15H29NO2 — CID 65163745

IUPAC[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCCC2CCCO2)C1
InChIInChI=1S/C15H29NO2/c1-13-5-2-8-15(11-13,12-17)16-9-3-6-14-7-4-10-18-14/h13-14,16-17H,2-12H2,1H3
InChIKeyXFQPPDYLCUKQAL-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.48
Rot. Bonds6

About [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol

[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol (PubChem CID 65163745) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
PubChem CID65163745
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCCCC2CCCO2)C1
InChIInChI=1S/C15H29NO2/c1-13-5-2-8-15(11-13,12-17)16-9-3-6-14-7-4-10-18-14/h13-14,16-17H,2-12H2,1H3
InChIKeyXFQPPDYLCUKQAL-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.48
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-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165282
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
CID 116755036
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 65030471
3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65163773
[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
CID 106723632

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol (CID 65163745) is [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCCCC2CCCO2)C1.
What is the InChIKey of [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol?
The InChIKey is XFQPPDYLCUKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13-5-2-8-15(11-13,12-17)16-9-3-6-14-7-4-10-18-14/h13-14,16-17H,2-12H2,1H3.
What are the key properties of [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol?
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol has a molecular weight of 255.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol is sourced from PubChem (CID 65163745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).