2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

C17H26N2OS — CID 62421937

IUPAC2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCc1oc(CNCC(C)C)cc1CN(C)Cc1ccsc1
InChIInChI=1S/C17H26N2OS/c1-13(2)8-18-9-17-7-16(14(3)20-17)11-19(4)10-15-5-6-21-12-15/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyZWMCSYLMNJCGAQ-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.03
Rot. Bonds8

About 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62421937) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62421937
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCc1oc(CNCC(C)C)cc1CN(C)Cc1ccsc1
InChIInChI=1S/C17H26N2OS/c1-13(2)8-18-9-17-7-16(14(3)20-17)11-19(4)10-15-5-6-21-12-15/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyZWMCSYLMNJCGAQ-UHFFFAOYSA-N
XLogP4.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-methyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79841917
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
2-methyl-N-[[5-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62427794
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62427807
N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline
CID 62437571
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 81068266
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62432383
N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
CID 63059318
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55072431

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 62421937) is 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is Cc1oc(CNCC(C)C)cc1CN(C)Cc1ccsc1.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is ZWMCSYLMNJCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13(2)8-18-9-17-7-16(14(3)20-17)11-19(4)10-15-5-6-21-12-15/h5-7,12-13,18H,8-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 306.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62421937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).