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

C13H21NO2 — CID 61426304

IUPAC2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCc1occc1CN(C)C1CCCCC1O
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
InChIKeyAHBMRDRFZCUGKJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds3

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

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 61426304) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
PubChem CID61426304
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCc1occc1CN(C)C1CCCCC1O
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
InChIKeyAHBMRDRFZCUGKJ-UHFFFAOYSA-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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Related Compounds

trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 55137173
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996990
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
3-cyclohexyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]thiourea
CID 47508994
2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996883
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine
CID 114235703
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
CID 79469279
N,2-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]cyclohexan-1-amine
CID 62461344

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol (CID 61426304) is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol is Cc1occc1CN(C)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is AHBMRDRFZCUGKJ-UHFFFAOYSA-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.
What are the key properties of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol?
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 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 61426304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).