N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine

C13H23NO2 — CID 62456984

IUPACN-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
SMILESCNCc1occc1COCCCC(C)C
InChIInChI=1S/C13H23NO2/c1-11(2)5-4-7-15-10-12-6-8-16-13(12)9-14-3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyUEFAOHYFELZRFC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.95
Rot. Bonds8

About N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine

N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine (PubChem CID 62456984) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
PubChem CID62456984
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
SMILESCNCc1occc1COCCCC(C)C
InChIInChI=1S/C13H23NO2/c1-11(2)5-4-7-15-10-12-6-8-16-13(12)9-14-3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyUEFAOHYFELZRFC-UHFFFAOYSA-N
XLogP2.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
CID 106449861
1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine
CID 103181044
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445339
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N,N,2-trimethyl-1-[[2-(methylaminomethyl)furan-3-yl]methoxy]propan-2-amine
CID 79680056
N-methyl-1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 62459180
N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
CID 62462555
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine (CID 62456984) is N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine is CNCc1occc1COCCCC(C)C.
What is the InChIKey of N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine?
The InChIKey is UEFAOHYFELZRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)5-4-7-15-10-12-6-8-16-13(12)9-14-3/h6,8,11,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine?
N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.95, 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-(4-methylpentoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62456984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).