3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine

C16H29NS — CID 114200975

IUPAC3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)c1cscc1C
InChIInChI=1S/C16H29NS/c1-6-7-17-16(9-13(4)8-12(2)3)15-11-18-10-14(15)5/h10-13,16-17H,6-9H2,1-5H3
InChIKeyIVUZRKPZKLONFR-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.17
Rot. Bonds8

About 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine

3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine (PubChem CID 114200975) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine
PubChem CID114200975
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)c1cscc1C
InChIInChI=1S/C16H29NS/c1-6-7-17-16(9-13(4)8-12(2)3)15-11-18-10-14(15)5/h10-13,16-17H,6-9H2,1-5H3
InChIKeyIVUZRKPZKLONFR-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
CID 79808186
3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine
CID 114200836
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 103011529
1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
CID 114201829
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102753611

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine?
The IUPAC name of 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine (CID 114200975) is 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine?
The canonical SMILES for 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)C)c1cscc1C.
What is the InChIKey of 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine?
The InChIKey is IVUZRKPZKLONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-6-7-17-16(9-13(4)8-12(2)3)15-11-18-10-14(15)5/h10-13,16-17H,6-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine?
3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-methylthiophen-3-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 114200975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).