[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol

C13H27NO2 — CID 103033509

IUPAC[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
SMILESCOC(C)(C)CCNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2,16-3)8-9-14-10-13(11-15)6-4-5-7-13/h14-15H,4-11H2,1-3H3
InChIKeyYPHHJKIFTNOEOV-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

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

[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol (PubChem CID 103033509) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
PubChem CID103033509
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
SMILESCOC(C)(C)CCNCC1(CO)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2,16-3)8-9-14-10-13(11-15)6-4-5-7-13/h14-15H,4-11H2,1-3H3
InChIKeyYPHHJKIFTNOEOV-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
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

4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol
CID 102977850
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol (CID 103033509) is [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol is COC(C)(C)CCNCC1(CO)CCCC1.
What is the InChIKey of [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is YPHHJKIFTNOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,16-3)8-9-14-10-13(11-15)6-4-5-7-13/h14-15H,4-11H2,1-3H3.
What are the key properties of [1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol?
[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 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]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103033509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).