1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine

C16H28N2O — CID 104692232

IUPAC1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCCC1CCCCCN1Cc1cc(C)c(CNC)o1
InChIInChI=1S/C16H28N2O/c1-4-14-8-6-5-7-9-18(14)12-15-10-13(2)16(19-15)11-17-3/h10,14,17H,4-9,11-12H2,1-3H3
InChIKeyJZBFNGYRPJXVDT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.46
Rot. Bonds5

About 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine

1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 104692232) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
PubChem CID104692232
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCCC1CCCCCN1Cc1cc(C)c(CNC)o1
InChIInChI=1S/C16H28N2O/c1-4-14-8-6-5-7-9-18(14)12-15-10-13(2)16(19-15)11-17-3/h10,14,17H,4-9,11-12H2,1-3H3
InChIKeyJZBFNGYRPJXVDT-UHFFFAOYSA-N
XLogP3.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-methyl-5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 55070259
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
1-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62930306
N-[[3-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62438980
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (CID 104692232) is 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is CCC1CCCCCN1Cc1cc(C)c(CNC)o1.
What is the InChIKey of 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is JZBFNGYRPJXVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-14-8-6-5-7-9-18(14)12-15-10-13(2)16(19-15)11-17-3/h10,14,17H,4-9,11-12H2,1-3H3.
What are the key properties of 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 264.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 104692232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).