1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine

C13H22N2O2 — CID 62988794

IUPAC1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCCOCC2)o1
InChIInChI=1S/C13H22N2O2/c1-10-4-5-12(17-10)13(11(2)14)15-6-3-8-16-9-7-15/h4-5,11,13H,3,6-9,14H2,1-2H3
InChIKeyZAINUPWMGROOAH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds3

About 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine

1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine (PubChem CID 62988794) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine
PubChem CID62988794
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCCOCC2)o1
InChIInChI=1S/C13H22N2O2/c1-10-4-5-12(17-10)13(11(2)14)15-6-3-8-16-9-7-15/h4-5,11,13H,3,6-9,14H2,1-2H3
InChIKeyZAINUPWMGROOAH-UHFFFAOYSA-N
XLogP1.70
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 62937540
1-(4-cyclopentylpiperazin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 62367910
1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 63157212
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 63189063
1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171849
1-(4-methylphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55153137
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
1-(1,4-oxazepan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 62988625
4-(1,4-oxazepan-4-yl)pentan-2-amine
CID 64708259
3-methyl-2-(1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 62987642
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053523

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine (CID 62988794) is 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine is Cc1ccc(C(C(C)N)N2CCCOCC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine?
The InChIKey is ZAINUPWMGROOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-4-5-12(17-10)13(11(2)14)15-6-3-8-16-9-7-15/h4-5,11,13H,3,6-9,14H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine?
1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1-(1,4-oxazepan-4-yl)propan-2-amine is sourced from PubChem (CID 62988794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).