N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C13H24N2S — CID 43569808

IUPACN-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CN)N(C)C(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-9(2)11(4)15(5)12(8-14)13-10(3)6-7-16-13/h6-7,9,11-12H,8,14H2,1-5H3
InChIKeyPHLPTQSAVKUJQE-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.03
Rot. Bonds5

About N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 43569808) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID43569808
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccsc1C(CN)N(C)C(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-9(2)11(4)15(5)12(8-14)13-10(3)6-7-16-13/h6-7,9,11-12H,8,14H2,1-5H3
InChIKeyPHLPTQSAVKUJQE-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43569817
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
N-(3,5-dimethylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62003890
1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384371
N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116913540
N-cycloheptyl-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43613882
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
N-butan-2-yl-N-butyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 54940568
N-(cyclobutylmethyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62861633
1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 66474428
3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
CID 116911789

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 43569808) is N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is Cc1ccsc1C(CN)N(C)C(C)C(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is PHLPTQSAVKUJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)11(4)15(5)12(8-14)13-10(3)6-7-16-13/h6-7,9,11-12H,8,14H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.03, 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-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43569808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).