1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine

C14H24N2O2 — CID 106821779

IUPAC1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(CN)(N(C)Cc2ccc(C)o2)C1
InChIInChI=1S/C14H24N2O2/c1-4-17-13-7-14(8-13,10-15)16(3)9-12-6-5-11(2)18-12/h5-6,13H,4,7-10,15H2,1-3H3
InChIKeyJJSPMGQHSLKWEU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.92
Rot. Bonds6

About 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine (PubChem CID 106821779) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine
PubChem CID106821779
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(CN)(N(C)Cc2ccc(C)o2)C1
InChIInChI=1S/C14H24N2O2/c1-4-17-13-7-14(8-13,10-15)16(3)9-12-6-5-11(2)18-12/h5-6,13H,4,7-10,15H2,1-3H3
InChIKeyJJSPMGQHSLKWEU-UHFFFAOYSA-N
XLogP1.92
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine
CID 65088167
4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine
CID 43526239
1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 106872195
1-(aminomethyl)-3-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 106821725
1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 106821874
1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
CID 106821852
1-(aminomethyl)-N-(furan-2-ylmethyl)-N,3,4-trimethylcyclohexan-1-amine
CID 64744459
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-N-methyloxolan-3-amine
CID 106822250
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193
1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
CID 114990412

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine (CID 106821779) is 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine is CCOC1CC(CN)(N(C)Cc2ccc(C)o2)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is JJSPMGQHSLKWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-17-13-7-14(8-13,10-15)16(3)9-12-6-5-11(2)18-12/h5-6,13H,4,7-10,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 106821779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).