3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol

C17H27NO2 — CID 63933922

IUPAC3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc(C3CC3C)o2)C1
InChIInChI=1S/C17H27NO2/c1-12-4-3-7-17(19,9-12)11-18-10-14-5-6-16(20-14)15-8-13(15)2/h5-6,12-13,15,18-19H,3-4,7-11H2,1-2H3
InChIKeyWUCPTWDOSQORKB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds5

About 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol

3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 63933922) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID63933922
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc(C3CC3C)o2)C1
InChIInChI=1S/C17H27NO2/c1-12-4-3-7-17(19,9-12)11-18-10-14-5-6-16(20-14)15-8-13(15)2/h5-6,12-13,15,18-19H,3-4,7-11H2,1-2H3
InChIKeyWUCPTWDOSQORKB-UHFFFAOYSA-N
XLogP3.43
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
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
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103254354
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]cyclohexan-1-ol
CID 62365432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 63933922) is 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNCc2ccc(C3CC3C)o2)C1.
What is the InChIKey of 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is WUCPTWDOSQORKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-4-3-7-17(19,9-12)11-18-10-14-5-6-16(20-14)15-8-13(15)2/h5-6,12-13,15,18-19H,3-4,7-11H2,1-2H3.
What are the key properties of 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63933922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).