N-methyl-N-(2-methylbutan-2-yl)thian-4-amine

C11H23NS — CID 130927384

IUPACN-methyl-N-(2-methylbutan-2-yl)thian-4-amine
SMILESCCC(C)(C)N(C)C1CCSCC1
InChIInChI=1S/C11H23NS/c1-5-11(2,3)12(4)10-6-8-13-9-7-10/h10H,5-9H2,1-4H3
InChIKeyQEJVFSIVGXUURU-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds3

About N-methyl-N-(2-methylbutan-2-yl)thian-4-amine

N-methyl-N-(2-methylbutan-2-yl)thian-4-amine (PubChem CID 130927384) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)thian-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)thian-4-amine
PubChem CID130927384
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)thian-4-amine
SMILESCCC(C)(C)N(C)C1CCSCC1
InChIInChI=1S/C11H23NS/c1-5-11(2,3)12(4)10-6-8-13-9-7-10/h10H,5-9H2,1-4H3
InChIKeyQEJVFSIVGXUURU-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
4-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-one
CID 114762231
3-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 79619328
2-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine
CID 43394916
2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine
CID 83817830
1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
CID 112555920
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650792
N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 81005048
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol
CID 63964217

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)thian-4-amine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)thian-4-amine (CID 130927384) is N-methyl-N-(2-methylbutan-2-yl)thian-4-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)thian-4-amine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)thian-4-amine is CCC(C)(C)N(C)C1CCSCC1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)thian-4-amine?
The InChIKey is QEJVFSIVGXUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-11(2,3)12(4)10-6-8-13-9-7-10/h10H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)thian-4-amine?
N-methyl-N-(2-methylbutan-2-yl)thian-4-amine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)thian-4-amine is sourced from PubChem (CID 130927384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).