1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine

C16H30N2S — CID 79989059

IUPAC1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCNC(c1sccc1C)C(C)(CC)N(CC)CC
InChIInChI=1S/C16H30N2S/c1-7-16(6,18(9-3)10-4)15(17-8-2)14-13(5)11-12-19-14/h11-12,15,17H,7-10H2,1-6H3
InChIKeyNGVNXJHBFSZFBD-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.22
Rot. Bonds8

About 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine

1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine (PubChem CID 79989059) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
PubChem CID79989059
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
SMILESCCNC(c1sccc1C)C(C)(CC)N(CC)CC
InChIInChI=1S/C16H30N2S/c1-7-16(6,18(9-3)10-4)15(17-8-2)14-13(5)11-12-19-14/h11-12,15,17H,7-10H2,1-6H3
InChIKeyNGVNXJHBFSZFBD-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290
1-hydrazinyl-N,N,2-trimethyl-1-(3-methylthiophen-2-yl)butan-2-amine
CID 105240611
1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058545
1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
CID 79069153
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine
CID 116758863
1-(1-benzothiophen-7-yl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 81154263
N,N-diethyl-1-hydrazinyl-2-methyl-1-(2,4,5-trimethylphenyl)butan-2-amine
CID 105240936
2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79997745
2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
CID 79069073
N-[(2,3-difluoro-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 107515906
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 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine (CID 79989059) is 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine is CCNC(c1sccc1C)C(C)(CC)N(CC)CC.
What is the InChIKey of 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine?
The InChIKey is NGVNXJHBFSZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-7-16(6,18(9-3)10-4)15(17-8-2)14-13(5)11-12-19-14/h11-12,15,17H,7-10H2,1-6H3.
What are the key properties of 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine?
1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine has a molecular weight of 282.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79989059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).