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

C17H31NS — CID 104991561

IUPAC3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1csc(C)c1
InChIInChI=1S/C17H31NS/c1-7-8-18-16(15-10-14(3)19-12-15)9-13(2)11-17(4,5)6/h10,12-13,16,18H,7-9,11H2,1-6H3
InChIKeyRTYHTFCCTRBQNY-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.56
Rot. Bonds7

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

3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine (PubChem CID 104991561) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
PubChem CID104991561
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)(C)C)c1csc(C)c1
InChIInChI=1S/C17H31NS/c1-7-8-18-16(15-10-14(3)19-12-15)9-13(2)11-17(4,5)6/h10,12-13,16,18H,7-9,11H2,1-6H3
InChIKeyRTYHTFCCTRBQNY-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43496847
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
N-ethyl-3-methyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 65104847
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
1-(5-ethylthiophen-2-yl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 43494313
2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
CID 79068762
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237
N-[2-(4-chlorophenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 66143413
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 65104437

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine?
The IUPAC name of 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine (CID 104991561) is 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine?
The canonical SMILES for 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)(C)C)c1csc(C)c1.
What is the InChIKey of 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine?
The InChIKey is RTYHTFCCTRBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-7-8-18-16(15-10-14(3)19-12-15)9-13(2)11-17(4,5)6/h10,12-13,16,18H,7-9,11H2,1-6H3.
What are the key properties of 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine?
3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 104991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).