3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

C15H25NO2 — CID 65116819

IUPAC3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(C(C)NCC2(O)CCCC(C)C2)o1
InChIInChI=1S/C15H25NO2/c1-11-5-4-8-15(17,9-11)10-16-13(3)14-7-6-12(2)18-14/h6-7,11,13,16-17H,4-5,8-10H2,1-3H3
InChIKeyHOPCLXNVYASJEH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.18
Rot. Bonds4

About 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 65116819) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID65116819
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(C(C)NCC2(O)CCCC(C)C2)o1
InChIInChI=1S/C15H25NO2/c1-11-5-4-8-15(17,9-11)10-16-13(3)14-7-6-12(2)18-14/h6-7,11,13,16-17H,4-5,8-10H2,1-3H3
InChIKeyHOPCLXNVYASJEH-UHFFFAOYSA-N
XLogP3.18
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116779
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117105
1-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65116917
1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 103390168
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 104653064
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine
CID 75441574

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 65116819) is 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is Cc1ccc(C(C)NCC2(O)CCCC(C)C2)o1.
What is the InChIKey of 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is HOPCLXNVYASJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-5-4-8-15(17,9-11)10-16-13(3)14-7-6-12(2)18-14/h6-7,11,13,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).