[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol

C14H23NO2 — CID 79074647

IUPAC[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol
SMILESCC1CCC(C(O)c2ccoc2)(N(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-11-4-7-14(8-5-11,15(2)3)13(16)12-6-9-17-10-12/h6,9-11,13,16H,4-5,7-8H2,1-3H3
InChIKeyNMADABKJAXJERC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.82
Rot. Bonds3

About [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol

[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol (PubChem CID 79074647) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol
PubChem CID79074647
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol
SMILESCC1CCC(C(O)c2ccoc2)(N(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-11-4-7-14(8-5-11,15(2)3)13(16)12-6-9-17-10-12/h6,9-11,13,16H,4-5,7-8H2,1-3H3
InChIKeyNMADABKJAXJERC-UHFFFAOYSA-N
XLogP2.82
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol?
The IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol (CID 79074647) is [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol.
What is the SMILES notation for [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol?
The canonical SMILES for [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol is CC1CCC(C(O)c2ccoc2)(N(C)C)CC1.
What is the InChIKey of [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol?
The InChIKey is NMADABKJAXJERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-4-7-14(8-5-11,15(2)3)13(16)12-6-9-17-10-12/h6,9-11,13,16H,4-5,7-8H2,1-3H3.
What are the key properties of [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol?
[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol has a molecular weight of 237.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol is sourced from PubChem (CID 79074647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).