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

C16H28N2O — CID 104692338

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

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

1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 104692338) 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]-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID104692338
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCCC1CCCCCN1Cc1cc(CNC)c(C)o1
InChIInChI=1S/C16H28N2O/c1-4-15-8-6-5-7-9-18(15)12-16-10-14(11-17-3)13(2)19-16/h10,15,17H,4-9,11-12H2,1-3H3
InChIKeyUQGAFMQDKMROIX-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

[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 104692232
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79917859
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62887839
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-methyl-1-[2-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79945685
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 115562245
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine (CID 104692338) is 1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine is CCC1CCCCCN1Cc1cc(CNC)c(C)o1.
What is the InChIKey of 1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is UQGAFMQDKMROIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-15-8-6-5-7-9-18(15)12-16-10-14(11-17-3)13(2)19-16/h10,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of 1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-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]-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104692338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).