N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine

C16H30N2S — CID 45490155

IUPACN-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1sc(C)c(CNCC(C)C)c1CNCC(C)C
InChIInChI=1S/C16H30N2S/c1-11(2)7-17-9-15-13(5)19-14(6)16(15)10-18-8-12(3)4/h11-12,17-18H,7-10H2,1-6H3
InChIKeyGVCDUZLWFJUFPN-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.86
Rot. Bonds8

About N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine

N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 45490155) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID45490155
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1sc(C)c(CNCC(C)C)c1CNCC(C)C
InChIInChI=1S/C16H30N2S/c1-11(2)7-17-9-15-13(5)19-14(6)16(15)10-18-8-12(3)4/h11-12,17-18H,7-10H2,1-6H3
InChIKeyGVCDUZLWFJUFPN-UHFFFAOYSA-N
XLogP3.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine (CID 45490155) is N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine is Cc1sc(C)c(CNCC(C)C)c1CNCC(C)C.
What is the InChIKey of N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GVCDUZLWFJUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-11(2)7-17-9-15-13(5)19-14(6)16(15)10-18-8-12(3)4/h11-12,17-18H,7-10H2,1-6H3.
What are the key properties of N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-4-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 45490155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).