N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine

C16H30N2S — CID 80728012

IUPACN-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(CNC(C)C)sc1C
InChIInChI=1S/C16H30N2S/c1-6-8-18(9-7-2)12-15-10-16(19-14(15)5)11-17-13(3)4/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyPFXXICNFRGDDMS-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.18
Rot. Bonds9

About N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine

N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine (PubChem CID 80728012) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
PubChem CID80728012
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(CNC(C)C)sc1C
InChIInChI=1S/C16H30N2S/c1-6-8-18(9-7-2)12-15-10-16(19-14(15)5)11-17-13(3)4/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyPFXXICNFRGDDMS-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine (CID 80728012) is N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cc(CNC(C)C)sc1C.
What is the InChIKey of N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is PFXXICNFRGDDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-8-18(9-7-2)12-15-10-16(19-14(15)5)11-17-13(3)4/h10,13,17H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine?
N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 80728012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).