N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine

C15H23NO2 — CID 62455359

IUPACN-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine
SMILESCNCc1ccoc1COCC1CC=CCC1C
InChIInChI=1S/C15H23NO2/c1-12-5-3-4-6-14(12)10-17-11-15-13(9-16-2)7-8-18-15/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3
InChIKeyHXIPKHFEVIYPHF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine

N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine (PubChem CID 62455359) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine
PubChem CID62455359
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine
SMILESCNCc1ccoc1COCC1CC=CCC1C
InChIInChI=1S/C15H23NO2/c1-12-5-3-4-6-14(12)10-17-11-15-13(9-16-2)7-8-18-15/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3
InChIKeyHXIPKHFEVIYPHF-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopentylmethoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66321220
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methanamine
CID 55133858
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-carboxylic acid
CID 43477541
N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine
CID 62456474
3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
CID 55214365
N,N-dimethyl-2-[[3-(methylaminomethyl)furan-2-yl]methoxy]ethanamine
CID 62458407
1-[2-(but-2-enoxymethyl)furan-3-yl]-N-methylmethanamine
CID 76943462
1-[2-(3,3-dimethylbutoxymethyl)furan-3-yl]-N-methylmethanamine
CID 66225474
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
N-methyl-1-[2-(3-methylbut-3-enoxymethyl)furan-3-yl]methanamine
CID 114470811
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558229
N-[[2-(cyclopentylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66323355

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine (CID 62455359) is N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine is CNCc1ccoc1COCC1CC=CCC1C.
What is the InChIKey of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine?
The InChIKey is HXIPKHFEVIYPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-3-4-6-14(12)10-17-11-15-13(9-16-2)7-8-18-15/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine?
N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine is sourced from PubChem (CID 62455359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).