2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine

C17H28N2S — CID 106316710

IUPAC2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(Cc2cc(CNC(C)(C)C)sc2C)C1
InChIInChI=1S/C17H28N2S/c1-13-7-6-8-19(11-13)12-15-9-16(20-14(15)2)10-18-17(3,4)5/h7,9,18H,6,8,10-12H2,1-5H3
InChIKeyPWSSHLPPJKUPSF-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.10
Rot. Bonds4

About 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 106316710) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID106316710
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(Cc2cc(CNC(C)(C)C)sc2C)C1
InChIInChI=1S/C17H28N2S/c1-13-7-6-8-19(11-13)12-15-9-16(20-14(15)2)10-18-17(3,4)5/h7,9,18H,6,8,10-12H2,1-5H3
InChIKeyPWSSHLPPJKUPSF-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 106316710) is 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine is CC1=CCCN(Cc2cc(CNC(C)(C)C)sc2C)C1.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is PWSSHLPPJKUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13-7-6-8-19(11-13)12-15-9-16(20-14(15)2)10-18-17(3,4)5/h7,9,18H,6,8,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 292.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106316710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).