2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine

C17H30N2O2 — CID 62436432

IUPAC2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(CN(C)CC2CCCO2)oc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-13-9-15(21-16(13)10-18-17(2,3)4)12-19(5)11-14-7-6-8-20-14/h9,14,18H,6-8,10-12H2,1-5H3
InChIKeyGLZOXGBSQGRFRX-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds6

About 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62436432) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62436432
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(CN(C)CC2CCCO2)oc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-13-9-15(21-16(13)10-18-17(2,3)4)12-19(5)11-14-7-6-8-20-14/h9,14,18H,6-8,10-12H2,1-5H3
InChIKeyGLZOXGBSQGRFRX-UHFFFAOYSA-N
XLogP3.09
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine (CID 62436432) is 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine is Cc1cc(CN(C)CC2CCCO2)oc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is GLZOXGBSQGRFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13-9-15(21-16(13)10-18-17(2,3)4)12-19(5)11-14-7-6-8-20-14/h9,14,18H,6-8,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62436432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).