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

C9H14N2O — CID 131115447

IUPAC1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine
SMILESCc1occc1CN1CC(N)C1
InChIInChI=1S/C9H14N2O/c1-7-8(2-3-12-7)4-11-5-9(10)6-11/h2-3,9H,4-6,10H2,1H3
InChIKeyVNCQDZNBUVHJET-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.73
Rot. Bonds2

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

1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine (PubChem CID 131115447) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine
PubChem CID131115447
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine
SMILESCc1occc1CN1CC(N)C1
InChIInChI=1S/C9H14N2O/c1-7-8(2-3-12-7)4-11-5-9(10)6-11/h2-3,9H,4-6,10H2,1H3
InChIKeyVNCQDZNBUVHJET-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-[(2-methylfuran-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 131213815
1-[(3,5-dimethylphenyl)methyl]azetidin-3-amine
CID 63760734
1-[(5-bromo-2-methylphenyl)methyl]azetidin-3-amine
CID 131049147
1-[(4-methylfuran-2-yl)methyl]azetidin-3-amine
CID 82414098
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 79184345
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
CID 79469279
1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 97035488
3-(bromomethyl)-2-methylfuran
CID 14141407
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-amine
CID 146082159

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine (CID 131115447) is 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine is Cc1occc1CN1CC(N)C1.
What is the InChIKey of 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine?
The InChIKey is VNCQDZNBUVHJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-8(2-3-12-7)4-11-5-9(10)6-11/h2-3,9H,4-6,10H2,1H3.
What are the key properties of 1-[(2-methylfuran-3-yl)methyl]azetidin-3-amine?
1-[(2-methylfuran-3-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-[(2-methylfuran-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 131115447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).