[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol

C13H27NO2 — CID 102977850

IUPAC[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol
SMILESCOC(C)(C)CCNC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-12(2,16-3)9-10-14-13(11-15)7-5-4-6-8-13/h14-15H,4-11H2,1-3H3
InChIKeyGBDVMMYPVNYZCA-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds6

About [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol

[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol (PubChem CID 102977850) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol
PubChem CID102977850
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol
SMILESCOC(C)(C)CCNC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-12(2,16-3)9-10-14-13(11-15)7-5-4-6-8-13/h14-15H,4-11H2,1-3H3
InChIKeyGBDVMMYPVNYZCA-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
CID 112555055
[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
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[1-(2-ethoxyethylamino)cyclohexyl]methanol
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tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
CID 103249148
[1-(3-methylbutylamino)cyclopentyl]methanol
CID 62523608
[1-(butylamino)cyclohexyl]methanol
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[1-(3,3-diethoxypropylamino)cyclohexyl]methanol
CID 81092728
[1-(2-fluoroethylamino)cyclohexyl]methanol
CID 80694044
[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
CID 115909619
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
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N-(3-methoxy-3-methylbutyl)-3-methylpyrrolidin-3-amine
CID 107423458

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol (CID 102977850) is [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol is COC(C)(C)CCNC1(CO)CCCCC1.
What is the InChIKey of [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol?
The InChIKey is GBDVMMYPVNYZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,16-3)9-10-14-13(11-15)7-5-4-6-8-13/h14-15H,4-11H2,1-3H3.
What are the key properties of [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol?
[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 102977850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).