N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine

C13H29NS — CID 123830475

IUPACN-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine
SMILESCCN(C(C)CSC)C(C)C(C)C(C)C
InChIInChI=1S/C13H29NS/c1-8-14(11(4)9-15-7)13(6)12(5)10(2)3/h10-13H,8-9H2,1-7H3
InChIKeyUOCWEGYCLGAIHB-UHFFFAOYSA-N
MW231.45 g/mol
LogP3.74
Rot. Bonds7

About N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine

N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine (PubChem CID 123830475) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine
PubChem CID123830475
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC NameN-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine
SMILESCCN(C(C)CSC)C(C)C(C)C(C)C
InChIInChI=1S/C13H29NS/c1-8-14(11(4)9-15-7)13(6)12(5)10(2)3/h10-13H,8-9H2,1-7H3
InChIKeyUOCWEGYCLGAIHB-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

4-[ethyl-(4-hydroxy-3-methylpentan-2-yl)amino]-3-methylpentan-2-ol
CID 142726781
CID 59960431
CID 59960431
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
CID 112663299
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
Lithium diisopropylethylamine
CID 86615685
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
2-N-butan-2-yl-2-N-ethylpentane-2,3-diamine
CID 43274497
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
CID 174345193
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
CID 174682450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine (CID 123830475) is N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine is CCN(C(C)CSC)C(C)C(C)C(C)C.
What is the InChIKey of N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine?
The InChIKey is UOCWEGYCLGAIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-8-14(11(4)9-15-7)13(6)12(5)10(2)3/h10-13H,8-9H2,1-7H3.
What are the key properties of N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine?
N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine has a molecular weight of 231.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)pentan-2-amine is sourced from PubChem (CID 123830475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).