[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol

C12H25NO2 — CID 115722501

IUPAC[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
SMILESCOCCC(C)NC1CCCCC1CO
InChIInChI=1S/C12H25NO2/c1-10(7-8-15-2)13-12-6-4-3-5-11(12)9-14/h10-14H,3-9H2,1-2H3
InChIKeyBGNVNCYRFGZPIP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol

[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol (PubChem CID 115722501) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
PubChem CID115722501
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
SMILESCOCCC(C)NC1CCCCC1CO
InChIInChI=1S/C12H25NO2/c1-10(7-8-15-2)13-12-6-4-3-5-11(12)9-14/h10-14H,3-9H2,1-2H3
InChIKeyBGNVNCYRFGZPIP-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
CID 103784997
2-butyl-N-(4-methoxybutan-2-yl)cyclopentan-1-amine
CID 115716518
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808
2-(4-methoxybutan-2-ylamino)cycloheptane-1-carbonitrile
CID 64605253
[2-(1-cyclopropylpropan-2-ylamino)cyclopentyl]methanol
CID 115723777
3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
CID 104934399
2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 106365311
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
N-[2-(hydroxymethyl)cyclohexyl]-4-methoxy-3-methylbutanamide
CID 113340476
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 106361170

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol (CID 115722501) is [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol is COCCC(C)NC1CCCCC1CO.
What is the InChIKey of [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol?
The InChIKey is BGNVNCYRFGZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(7-8-15-2)13-12-6-4-3-5-11(12)9-14/h10-14H,3-9H2,1-2H3.
What are the key properties of [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol?
[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 115722501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).