1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine

C9H14N2O — CID 82414098

IUPAC1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine
SMILESCc1coc(CN2CC(N)C2)c1
InChIInChI=1S/C9H14N2O/c1-7-2-9(12-6-7)5-11-3-8(10)4-11/h2,6,8H,3-5,10H2,1H3
InChIKeyMCWZNJWXVAYXSW-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.73
Rot. Bonds2

About 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine

1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine (PubChem CID 82414098) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine
PubChem CID82414098
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine
SMILESCc1coc(CN2CC(N)C2)c1
InChIInChI=1S/C9H14N2O/c1-7-2-9(12-6-7)5-11-3-8(10)4-11/h2,6,8H,3-5,10H2,1H3
InChIKeyMCWZNJWXVAYXSW-UHFFFAOYSA-N
XLogP0.73
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
CID 63760734
1-[(4-methylfuran-2-yl)methyl]-4-(4-methylphenyl)piperazine
CID 22762590
1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine
CID 146082159
1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine
CID 131115447
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 62068490
1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
CID 131049147
2-[[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methoxypyran-4-one;dihydrochloride
CID 154907368
ethane;4-[(5-methylfuran-2-yl)methyl]morpholine;1-methyl-4-[(4-methylfuran-2-yl)methyl]piperazine
CID 143536396
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
1-methyl-3-[(4-methylfuran-2-yl)methyl]azetidin-3-ol
CID 83817025
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540274

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine (CID 82414098) is 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine is Cc1coc(CN2CC(N)C2)c1.
What is the InChIKey of 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine?
The InChIKey is MCWZNJWXVAYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-2-9(12-6-7)5-11-3-8(10)4-11/h2,6,8H,3-5,10H2,1H3.
What are the key properties of 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine?
1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine has a molecular weight of 166.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 82414098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).