N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine

C19H35NO — CID 115846501

IUPACN-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(NC)c1coc(C)c1
InChIInChI=1S/C19H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-19(20-3)18-15-17(2)21-16-18/h15-16,19-20H,4-14H2,1-3H3
InChIKeySDRAXECXEOIBNM-UHFFFAOYSA-N
MW293.50 g/mol
LogP6.16
Rot. Bonds13

About N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine

N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine (PubChem CID 115846501) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
PubChem CID115846501
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(NC)c1coc(C)c1
InChIInChI=1S/C19H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-19(20-3)18-15-17(2)21-16-18/h15-16,19-20H,4-14H2,1-3H3
InChIKeySDRAXECXEOIBNM-UHFFFAOYSA-N
XLogP6.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)nonan-1-amine
CID 115835205
N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
CID 115831656
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
CID 105023879
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine
CID 104991616
N-methyl-1-(5-methylfuran-3-yl)-2-propoxyethanamine
CID 105008302
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
2-ethoxy-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105007859
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105023057
1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
CID 115833289

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine (CID 115846501) is N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine is CCCCCCCCCCCCC(NC)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine?
The InChIKey is SDRAXECXEOIBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-19(20-3)18-15-17(2)21-16-18/h15-16,19-20H,4-14H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine?
N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 6.16, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine is sourced from PubChem (CID 115846501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).