1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C15H25NO — CID 104789923

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1ccoc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C15H25NO/c1-10-7-11(2)9-13(8-10)15(16-4)14-5-6-17-12(14)3/h5-6,10-11,13,15-16H,7-9H2,1-4H3
InChIKeyYQNJZTGBJODOJP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.92
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 104789923) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID104789923
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1ccoc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C15H25NO/c1-10-7-11(2)9-13(8-10)15(16-4)14-5-6-17-12(14)3/h5-6,10-11,13,15-16H,7-9H2,1-4H3
InChIKeyYQNJZTGBJODOJP-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789875
(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine
CID 104789698
N-methyl-1-(2-methylfuran-3-yl)-1-(oxolan-3-yl)methanamine
CID 104789944
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104790003
1-(3,5-dimethylcyclohexyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533801
1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 106857795
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790058
N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789901
1-(5-bromo-2-fluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 114894811
N-methyl-1-(3-methylcyclohexyl)-1-(3-methylfuran-2-yl)methanamine
CID 104804739
[(3,5-dimethylcyclohexyl)-(furan-2-yl)methyl]hydrazine
CID 105213645

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 104789923) is 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(c1ccoc1C)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is YQNJZTGBJODOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-7-11(2)9-13(8-10)15(16-4)14-5-6-17-12(14)3/h5-6,10-11,13,15-16H,7-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 104789923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).