N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C17H30N2O2 — CID 62434075

IUPACN-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1CN1CC(C)OCC1C
InChIInChI=1S/C17H30N2O2/c1-12-11-20-13(2)9-19(12)10-15-7-16(21-14(15)3)8-18-17(4,5)6/h7,12-13,18H,8-11H2,1-6H3
InChIKeyITGZCKKSCZVPEM-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds4

About N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62434075) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62434075
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1CN1CC(C)OCC1C
InChIInChI=1S/C17H30N2O2/c1-12-11-20-13(2)9-19(12)10-15-7-16(21-14(15)3)8-18-17(4,5)6/h7,12-13,18H,8-11H2,1-6H3
InChIKeyITGZCKKSCZVPEM-UHFFFAOYSA-N
XLogP3.09
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62434075) is N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1oc(CNC(C)(C)C)cc1CN1CC(C)OCC1C.
What is the InChIKey of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ITGZCKKSCZVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12-11-20-13(2)9-19(12)10-15-7-16(21-14(15)3)8-18-17(4,5)6/h7,12-13,18H,8-11H2,1-6H3.
What are the key properties of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62434075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).