N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

C17H32N2S — CID 80727929

IUPACN-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CCC)Cc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C17H32N2S/c1-7-9-19(10-8-2)13-15-11-16(20-14(15)3)12-18-17(4,5)6/h11,18H,7-10,12-13H2,1-6H3
InChIKeyVQHCYJAZFUPMJM-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.57
Rot. Bonds8

About N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80727929) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID80727929
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC NameN-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CCC)Cc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C17H32N2S/c1-7-9-19(10-8-2)13-15-11-16(20-14(15)3)12-18-17(4,5)6/h11,18H,7-10,12-13H2,1-6H3
InChIKeyVQHCYJAZFUPMJM-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 80727929) is N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is CCCN(CCC)Cc1cc(CNC(C)(C)C)sc1C.
What is the InChIKey of N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VQHCYJAZFUPMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-7-9-19(10-8-2)13-15-11-16(20-14(15)3)12-18-17(4,5)6/h11,18H,7-10,12-13H2,1-6H3.
What are the key properties of N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.52 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80727929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).