N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine

C16H25NO2 — CID 62456474

IUPACN-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine
SMILESCNCc1cc(COCC2CC=CCC2C)c(C)o1
InChIInChI=1S/C16H25NO2/c1-12-6-4-5-7-14(12)10-18-11-15-8-16(9-17-3)19-13(15)2/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3
InChIKeyLXCKBURANUHNND-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds6

About N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine (PubChem CID 62456474) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine
PubChem CID62456474
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine
SMILESCNCc1cc(COCC2CC=CCC2C)c(C)o1
InChIInChI=1S/C16H25NO2/c1-12-6-4-5-7-14(12)10-18-11-15-8-16(9-17-3)19-13(15)2/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3
InChIKeyLXCKBURANUHNND-UHFFFAOYSA-N
XLogP3.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine with MolForge

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Related Compounds

N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62455543
N-methyl-1-[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444720
N-methyl-1-[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]furan-2-yl]methanamine
CID 65468080
N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methanamine
CID 62455359
N-methyl-1-[5-methyl-4-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 55076653
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
N-methyl-1-[5-methyl-4-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methanamine
CID 62460576
1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]methanamine
CID 62427462
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 66324001
N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine
CID 62484208
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine (CID 62456474) is N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine is CNCc1cc(COCC2CC=CCC2C)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine?
The InChIKey is LXCKBURANUHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-4-5-7-14(12)10-18-11-15-8-16(9-17-3)19-13(15)2/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 62456474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).