1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol

C14H23NO3 — CID 65117347

IUPAC1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc(CO)o2)C1
InChIInChI=1S/C14H23NO3/c1-11-3-2-6-14(17,7-11)10-15-8-12-4-5-13(9-16)18-12/h4-5,11,15-17H,2-3,6-10H2,1H3
InChIKeyOBAVTWFUJSYJNE-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.80
Rot. Bonds5

About 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol

1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65117347) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65117347
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc(CO)o2)C1
InChIInChI=1S/C14H23NO3/c1-11-3-2-6-14(17,7-11)10-15-8-12-4-5-13(9-16)18-12/h4-5,11,15-17H,2-3,6-10H2,1H3
InChIKeyOBAVTWFUJSYJNE-UHFFFAOYSA-N
XLogP1.80
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 63933922
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103254354
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]thian-4-ol
CID 111467012
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
1-[(3,4-diaminoanilino)methyl]-3-methylcyclohexan-1-ol
CID 106750915
3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol (CID 65117347) is 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCc2ccc(CO)o2)C1.
What is the InChIKey of 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is OBAVTWFUJSYJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-3-2-6-14(17,7-11)10-15-8-12-4-5-13(9-16)18-12/h4-5,11,15-17H,2-3,6-10H2,1H3.
What are the key properties of 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65117347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).