1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine

C16H27NO2 — CID 107178220

IUPAC1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(COC)o1)C1CCCCC1(C)C
InChIInChI=1S/C16H27NO2/c1-16(2)10-6-5-7-13(16)15(17-3)14-9-8-12(19-14)11-18-4/h8-9,13,15,17H,5-7,10-11H2,1-4H3
InChIKeyPONAPKJTIHHSDU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.90
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine

1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine (PubChem CID 107178220) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
PubChem CID107178220
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(COC)o1)C1CCCCC1(C)C
InChIInChI=1S/C16H27NO2/c1-16(2)10-6-5-7-13(16)15(17-3)14-9-8-12(19-14)11-18-4/h8-9,13,15,17H,5-7,10-11H2,1-4H3
InChIKeyPONAPKJTIHHSDU-UHFFFAOYSA-N
XLogP3.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 113461746
1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 107189170
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107177149
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107177273
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248
1-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177267
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191035
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine (CID 107178220) is 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine is CNC(c1ccc(COC)o1)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is PONAPKJTIHHSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2)10-6-5-7-13(16)15(17-3)14-9-8-12(19-14)11-18-4/h8-9,13,15,17H,5-7,10-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine?
1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107178220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).