2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine

C17H29NO2S — CID 80720268

IUPAC2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCc1sc(CNCC(C)C)cc1COCC1CCCCO1
InChIInChI=1S/C17H29NO2S/c1-13(2)9-18-10-17-8-15(14(3)21-17)11-19-12-16-6-4-5-7-20-16/h8,13,16,18H,4-7,9-12H2,1-3H3
InChIKeyNTVGIDPDJPNBII-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.89
Rot. Bonds8

About 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 80720268) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID80720268
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCc1sc(CNCC(C)C)cc1COCC1CCCCO1
InChIInChI=1S/C17H29NO2S/c1-13(2)9-18-10-17-8-15(14(3)21-17)11-19-12-16-6-4-5-7-20-16/h8,13,16,18H,4-7,9-12H2,1-3H3
InChIKeyNTVGIDPDJPNBII-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729702
N-[[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729863
2-methyl-N-[[5-methyl-4-(oxetan-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 102608234
2-methyl-N-[[5-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443834
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558038
2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80624652
N-[[4-[(3-methoxy-3-methylbutoxy)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 106668090
N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80727214
2-methyl-N-[[5-methyl-4-[(2-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727676
N-methyl-1-[5-methyl-4-(oxan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444720
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine (CID 80720268) is 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine is Cc1sc(CNCC(C)C)cc1COCC1CCCCO1.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is NTVGIDPDJPNBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-13(2)9-18-10-17-8-15(14(3)21-17)11-19-12-16-6-4-5-7-20-16/h8,13,16,18H,4-7,9-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 311.49 g/mol, XLogP of 3.89, 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-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80720268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).