2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol

C15H25NO2 — CID 64734697

IUPAC2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(CN(C)Cc2ccco2)C(O)C1
InChIInChI=1S/C15H25NO2/c1-11-7-12(2)14(15(17)8-11)10-16(3)9-13-5-4-6-18-13/h4-6,11-12,14-15,17H,7-10H2,1-3H3
InChIKeyDUDHPNWBCWLPSW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds4

About 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol

2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 64734697) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID64734697
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(CN(C)Cc2ccco2)C(O)C1
InChIInChI=1S/C15H25NO2/c1-11-7-12(2)14(15(17)8-11)10-16(3)9-13-5-4-6-18-13/h4-6,11-12,14-15,17H,7-10H2,1-3H3
InChIKeyDUDHPNWBCWLPSW-UHFFFAOYSA-N
XLogP2.75
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 64737262
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62616432
3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol
CID 65486914
2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62608837
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
3,5-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64736070
1-(4-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 114430753
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine
CID 103067643
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64736787
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 43527003

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol (CID 64734697) is 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol is CC1CC(C)C(CN(C)Cc2ccco2)C(O)C1.
What is the InChIKey of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is DUDHPNWBCWLPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-7-12(2)14(15(17)8-11)10-16(3)9-13-5-4-6-18-13/h4-6,11-12,14-15,17H,7-10H2,1-3H3.
What are the key properties of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64734697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).