trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol

C13H21NO2 — CID 102731964

IUPACtrans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCc1occc1CN(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H21NO2/c1-10-11(7-8-16-10)9-14(2)12-5-3-4-6-13(12)15/h7-8,12-13,15H,3-6,9H2,1-2H3/t12-,13-/m0/s1
InChIKeyAHBMRDRFZCUGKJ-STQMWFEESA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds3

About trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 102731964) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
PubChem CID102731964
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nametrans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCc1occc1CN(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H21NO2/c1-10-11(7-8-16-10)9-14(2)12-5-3-4-6-13(12)15/h7-8,12-13,15H,3-6,9H2,1-2H3/t12-,13-/m0/s1
InChIKeyAHBMRDRFZCUGKJ-STQMWFEESA-N
XLogP2.32
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol (CID 102731964) is trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol is Cc1occc1CN(C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is AHBMRDRFZCUGKJ-STQMWFEESA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-11(7-8-16-10)9-14(2)12-5-3-4-6-13(12)15/h7-8,12-13,15H,3-6,9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102731964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).