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

C14H23NO2 — CID 110011456

IUPAC2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCc1ccoc1CN(C)CC1CCCCC1O
InChIInChI=1S/C14H23NO2/c1-11-7-8-17-14(11)10-15(2)9-12-5-3-4-6-13(12)16/h7-8,12-13,16H,3-6,9-10H2,1-2H3
InChIKeyADMNWRZDVNTPNH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.57
Rot. Bonds4

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

2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol (PubChem CID 110011456) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol
PubChem CID110011456
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESCc1ccoc1CN(C)CC1CCCCC1O
InChIInChI=1S/C14H23NO2/c1-11-7-8-17-14(11)10-15(2)9-12-5-3-4-6-13(12)16/h7-8,12-13,16H,3-6,9-10H2,1-2H3
InChIKeyADMNWRZDVNTPNH-UHFFFAOYSA-N
XLogP2.57
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol (CID 110011456) is 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol is Cc1ccoc1CN(C)CC1CCCCC1O.
What is the InChIKey of 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is ADMNWRZDVNTPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-7-8-17-14(11)10-15(2)9-12-5-3-4-6-13(12)16/h7-8,12-13,16H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110011456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).