2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine

C15H28N2S — CID 79062925

IUPAC2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(C)s1)C(C)(CC)N(C)C
InChIInChI=1S/C15H28N2S/c1-7-11-16-14(13-10-9-12(3)18-13)15(4,8-2)17(5)6/h9-10,14,16H,7-8,11H2,1-6H3
InChIKeyXIMCXNMAUAOPBU-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.83
Rot. Bonds7

About 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine

2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine (PubChem CID 79062925) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
PubChem CID79062925
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(C)s1)C(C)(CC)N(C)C
InChIInChI=1S/C15H28N2S/c1-7-11-16-14(13-10-9-12(3)18-13)15(4,8-2)17(5)6/h9-10,14,16H,7-8,11H2,1-6H3
InChIKeyXIMCXNMAUAOPBU-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79196780
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
2-methyl-1-(5-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 43494143
1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79064609
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778
2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
CID 79063909
3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine
CID 105241697
1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063546
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 79053612
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
CID 79068762

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine (CID 79062925) is 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine is CCCNC(c1ccc(C)s1)C(C)(CC)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine?
The InChIKey is XIMCXNMAUAOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-7-11-16-14(13-10-9-12(3)18-13)15(4,8-2)17(5)6/h9-10,14,16H,7-8,11H2,1-6H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine?
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79062925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).