4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol

C15H25NO2 — CID 115149649

IUPAC4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
SMILESCc1ccc(C(C)(C)CNC2CCC(O)CC2)o1
InChIInChI=1S/C15H25NO2/c1-11-4-9-14(18-11)15(2,3)10-16-12-5-7-13(17)8-6-12/h4,9,12-13,16-17H,5-8,10H2,1-3H3
InChIKeyVRNBHAGEXAEAFR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.76
Rot. Bonds4

About 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol

4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol (PubChem CID 115149649) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
PubChem CID115149649
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
SMILESCc1ccc(C(C)(C)CNC2CCC(O)CC2)o1
InChIInChI=1S/C15H25NO2/c1-11-4-9-14(18-11)15(2,3)10-16-12-5-7-13(17)8-6-12/h4,9,12-13,16-17H,5-8,10H2,1-3H3
InChIKeyVRNBHAGEXAEAFR-UHFFFAOYSA-N
XLogP2.76
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54913714
2,2-Difluoro-3-[1-(furan-2-yl)propan-2-ylamino]propan-1-ol
CID 106172831
2-methyl-2-(5-methylfuran-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 115258177
N-(3-methoxypropyl)-4-methyl-4-(5-methyl-2-furyl)-2-pentanamine
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N-(1-(furan-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 45868357
3-(Furan-2-yl)-2-(methylamino)-1-(4-methylphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol (CID 115149649) is 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol is Cc1ccc(C(C)(C)CNC2CCC(O)CC2)o1.
What is the InChIKey of 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol?
The InChIKey is VRNBHAGEXAEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-4-9-14(18-11)15(2,3)10-16-12-5-7-13(17)8-6-12/h4,9,12-13,16-17H,5-8,10H2,1-3H3.
What are the key properties of 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol?
4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 115149649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).