1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine

C14H24N2O — CID 62438729

IUPAC1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(CN2CCCCCC2)cc1C
InChIInChI=1S/C14H24N2O/c1-12-9-13(17-14(12)10-15-2)11-16-7-5-3-4-6-8-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyUBHVXHLDZZSKEU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds4

About 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine

1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62438729) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62438729
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(CN2CCCCCC2)cc1C
InChIInChI=1S/C14H24N2O/c1-12-9-13(17-14(12)10-15-2)11-16-7-5-3-4-6-8-16/h9,15H,3-8,10-11H2,1-2H3
InChIKeyUBHVXHLDZZSKEU-UHFFFAOYSA-N
XLogP2.68
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62930306
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 104692232
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62418971
N-methyl-1-[3-methyl-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methanamine
CID 102886883
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
CID 62424078
N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62458800
[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
CID 65286758
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
2-methyl-N-[[2-methyl-5-(piperidin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62424694

Frequently Asked Questions

What is the IUPAC name of 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine (CID 62438729) is 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine is CNCc1oc(CN2CCCCCC2)cc1C.
What is the InChIKey of 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is UBHVXHLDZZSKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-9-13(17-14(12)10-15-2)11-16-7-5-3-4-6-8-16/h9,15H,3-8,10-11H2,1-2H3.
What are the key properties of 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine?
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62438729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).