[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol

C13H21NO2 — CID 62553513

IUPAC[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccco2)C1
InChIInChI=1S/C13H21NO2/c1-11-4-2-6-13(8-11,10-15)14-9-12-5-3-7-16-12/h3,5,7,11,14-15H,2,4,6,8-10H2,1H3
InChIKeyFKIFQNVIQXVQSR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.31
Rot. Bonds4

About [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol

[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol (PubChem CID 62553513) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
PubChem CID62553513
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ccco2)C1
InChIInChI=1S/C13H21NO2/c1-11-4-2-6-13(8-11,10-15)14-9-12-5-3-7-16-12/h3,5,7,11,14-15H,2,4,6,8-10H2,1H3
InChIKeyFKIFQNVIQXVQSR-UHFFFAOYSA-N
XLogP2.31
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]furan-2-carboxylate
CID 62551826
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
1-(furan-2-ylmethylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114990378
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
3-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 114318191
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
1-(furan-2-ylmethylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114990376

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol (CID 62553513) is [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2ccco2)C1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is FKIFQNVIQXVQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-4-2-6-13(8-11,10-15)14-9-12-5-3-7-16-12/h3,5,7,11,14-15H,2,4,6,8-10H2,1H3.
What are the key properties of [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol?
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62553513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).