[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol

C12H25NO2 — CID 115358645

IUPAC[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
SMILESCCC(COC)NCC1(CO)CCCC1
InChIInChI=1S/C12H25NO2/c1-3-11(8-15-2)13-9-12(10-14)6-4-5-7-12/h11,13-14H,3-10H2,1-2H3
InChIKeyGLGBCQPIPRITRG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds7

About [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol

[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol (PubChem CID 115358645) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
PubChem CID115358645
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol
SMILESCCC(COC)NCC1(CO)CCCC1
InChIInChI=1S/C12H25NO2/c1-3-11(8-15-2)13-9-12(10-14)6-4-5-7-12/h11,13-14H,3-10H2,1-2H3
InChIKeyGLGBCQPIPRITRG-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Cyclohexylamino)-1-methylcyclopentyl]methanol
CID 71926583
1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 102562975
[1-Methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclopentyl]methanol
CID 132283043
1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
CID 136540126
(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]butan-1-ol
CID 25008275
(2S)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 99796108
(2S)-1,1,1-trifluoro-3-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 99796110
(2R)-1,1,1-trifluoro-3-[[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 100909621
(2R)-1,1,1-trifluoro-3-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 100909623
[1-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentyl]methanol
CID 102869911
[2-[2-(Trifluoromethoxy)ethylamino]cyclopentyl]methanol
CID 106361003
[1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359508

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol (CID 115358645) is [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol is CCC(COC)NCC1(CO)CCCC1.
What is the InChIKey of [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol?
The InChIKey is GLGBCQPIPRITRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-11(8-15-2)13-9-12(10-14)6-4-5-7-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol?
[1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methoxybutan-2-ylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).