N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane

C15H29NS — CID 163242602

IUPACN-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane
SMILESCC.CCCCN(CCC)c1sc(C)cc1C
InChIInChI=1S/C13H23NS.C2H6/c1-5-7-9-14(8-6-2)13-11(3)10-12(4)15-13;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyXBCOUSDHRVZCQM-UHFFFAOYSA-N
MW255.47 g/mol
LogP5.41
Rot. Bonds6

About N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane

N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane (PubChem CID 163242602) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane.

Molecular Properties

Compound NameN-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane
PubChem CID163242602
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC NameN-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane
SMILESCC.CCCCN(CCC)c1sc(C)cc1C
InChIInChI=1S/C13H23NS.C2H6/c1-5-7-9-14(8-6-2)13-11(3)10-12(4)15-13;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyXBCOUSDHRVZCQM-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
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N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
CID 80720308
N,N-dibutyl-3-methylaniline
CID 15332677
1-(3,5-dimethylthiophen-2-yl)nonan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane?
The IUPAC name of N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane (CID 163242602) is N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane.
What is the SMILES notation for N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane?
The canonical SMILES for N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane is CC.CCCCN(CCC)c1sc(C)cc1C.
What is the InChIKey of N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane?
The InChIKey is XBCOUSDHRVZCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS.C2H6/c1-5-7-9-14(8-6-2)13-11(3)10-12(4)15-13;1-2/h10H,5-9H2,1-4H3;1-2H3.
What are the key properties of N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane?
N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane has a molecular weight of 255.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane is sourced from PubChem (CID 163242602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).