N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine

C12H22N2S — CID 43569817

IUPACN-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(C)C(C)N(C)C(CN)c1cccs1
InChIInChI=1S/C12H22N2S/c1-9(2)10(3)14(4)11(8-13)12-6-5-7-15-12/h5-7,9-11H,8,13H2,1-4H3
InChIKeyRHYWIECPWJRKNW-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.72
Rot. Bonds5

About N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine

N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43569817) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43569817
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(C)C(C)N(C)C(CN)c1cccs1
InChIInChI=1S/C12H22N2S/c1-9(2)10(3)14(4)11(8-13)12-6-5-7-15-12/h5-7,9-11H,8,13H2,1-4H3
InChIKeyRHYWIECPWJRKNW-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 54983458
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654
1-[4-(dimethylamino)phenyl]-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569818
N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 54945196
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79972660
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55004874
2-(2,2-dimethylhydrazinyl)-2-thiophen-2-ylethanamine
CID 83011900

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 43569817) is N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine is CC(C)C(C)N(C)C(CN)c1cccs1.
What is the InChIKey of N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is RHYWIECPWJRKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)10(3)14(4)11(8-13)12-6-5-7-15-12/h5-7,9-11H,8,13H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine?
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43569817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).