N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine

C16H28N2O — CID 115213752

IUPACN-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCc2ccc(C)o2)CC1
InChIInChI=1S/C16H28N2O/c1-13-4-9-16(19-13)10-11-18(3)12-14-5-7-15(17-2)8-6-14/h4,9,14-15,17H,5-8,10-12H2,1-3H3
InChIKeyDVNVTKHSWRZIFF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.84
Rot. Bonds6

About N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine

N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine (PubChem CID 115213752) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
PubChem CID115213752
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCc2ccc(C)o2)CC1
InChIInChI=1S/C16H28N2O/c1-13-4-9-16(19-13)10-11-18(3)12-14-5-7-15(17-2)8-6-14/h4,9,14-15,17H,5-8,10-12H2,1-3H3
InChIKeyDVNVTKHSWRZIFF-UHFFFAOYSA-N
XLogP2.84
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213747
4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
CID 115213756
N-(2-chloroethyl)-N-methyl-2-(5-methylfuran-2-yl)ethanamine
CID 115215237
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine (CID 115213752) is N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine is CNC1CCC(CN(C)CCc2ccc(C)o2)CC1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is DVNVTKHSWRZIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-4-9-16(19-13)10-11-18(3)12-14-5-7-15(17-2)8-6-14/h4,9,14-15,17H,5-8,10-12H2,1-3H3.
What are the key properties of N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).