2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine

C17H32N2S — CID 79068762

IUPAC2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1csc(C)c1)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H32N2S/c1-7-11-18-16(15-12-14(5)20-13-15)17(6,8-2)19(9-3)10-4/h12-13,16,18H,7-11H2,1-6H3
InChIKeyWGDYNQUMTWZLAQ-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.61
Rot. Bonds9

About 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine

2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine (PubChem CID 79068762) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
PubChem CID79068762
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1csc(C)c1)C(C)(CC)N(CC)CC
InChIInChI=1S/C17H32N2S/c1-7-11-18-16(15-12-14(5)20-13-15)17(6,8-2)19(9-3)10-4/h12-13,16,18H,7-11H2,1-6H3
InChIKeyWGDYNQUMTWZLAQ-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069595
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237
3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
CID 104991561
[2,2-dimethyl-1-(5-methylthiophen-3-yl)butyl]hydrazine
CID 105313380
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991213
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine (CID 79068762) is 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine is CCCNC(c1csc(C)c1)C(C)(CC)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine?
The InChIKey is WGDYNQUMTWZLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-7-11-18-16(15-12-14(5)20-13-15)17(6,8-2)19(9-3)10-4/h12-13,16,18H,7-11H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine?
2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79068762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).