N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine

C13H21NO2 — CID 79113639

IUPACN-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCCCOCc1cc(C)c(CNC)o1
InChIInChI=1S/C13H21NO2/c1-4-5-6-7-15-10-12-8-11(2)13(16-12)9-14-3/h4,8,14H,1,5-7,9-10H2,2-3H3
InChIKeyLMCPTORZMSUIAX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.79
Rot. Bonds8

About N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine

N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine (PubChem CID 79113639) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
PubChem CID79113639
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCCCOCc1cc(C)c(CNC)o1
InChIInChI=1S/C13H21NO2/c1-4-5-6-7-15-10-12-8-11(2)13(16-12)9-14-3/h4,8,14H,1,5-7,9-10H2,2-3H3
InChIKeyLMCPTORZMSUIAX-UHFFFAOYSA-N
XLogP2.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62440946
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
1-[5-(2-cyclobutylethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 106206153
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
CID 62443034
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441502
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460612
N-[[5-(3-methoxypropoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073533

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine (CID 79113639) is N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine is C=CCCCOCc1cc(C)c(CNC)o1.
What is the InChIKey of N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine?
The InChIKey is LMCPTORZMSUIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-6-7-15-10-12-8-11(2)13(16-12)9-14-3/h4,8,14H,1,5-7,9-10H2,2-3H3.
What are the key properties of N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine?
N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-5-(pent-4-enoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 79113639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).