N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine

C15H26N2O — CID 62424078

IUPACN-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
SMILESCNCc1oc(CN(C)C2CCCCC2)cc1C
InChIInChI=1S/C15H26N2O/c1-12-9-14(18-15(12)10-16-2)11-17(3)13-7-5-4-6-8-13/h9,13,16H,4-8,10-11H2,1-3H3
InChIKeyGBCXFODKXOXJAQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine

N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine (PubChem CID 62424078) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
PubChem CID62424078
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
SMILESCNCc1oc(CN(C)C2CCCCC2)cc1C
InChIInChI=1S/C15H26N2O/c1-12-9-14(18-15(12)10-16-2)11-17(3)13-7-5-4-6-8-13/h9,13,16H,4-8,10-11H2,1-3H3
InChIKeyGBCXFODKXOXJAQ-UHFFFAOYSA-N
XLogP3.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]oxolan-3-amine
CID 82754072
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62418314
N-methyl-N-[[4-methyl-5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62418553
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62429064
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63572192
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine (CID 62424078) is N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine is CNCc1oc(CN(C)C2CCCCC2)cc1C.
What is the InChIKey of N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine?
The InChIKey is GBCXFODKXOXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-9-14(18-15(12)10-16-2)11-17(3)13-7-5-4-6-8-13/h9,13,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine?
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine has a molecular weight of 250.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 62424078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).