4,4-dimethyl-1-methylsulfanylpentan-2-amine

C8H19NS — CID 117241768

IUPAC4,4-dimethyl-1-methylsulfanylpentan-2-amine
SMILESCSCC(N)CC(C)(C)C
InChIInChI=1S/C8H19NS/c1-8(2,3)5-7(9)6-10-4/h7H,5-6,9H2,1-4H3
InChIKeyZAEDYNWRDQBSDB-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.11
Rot. Bonds3

About 4,4-dimethyl-1-methylsulfanylpentan-2-amine

4,4-dimethyl-1-methylsulfanylpentan-2-amine (PubChem CID 117241768) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-methylsulfanylpentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-methylsulfanylpentan-2-amine
PubChem CID117241768
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name4,4-dimethyl-1-methylsulfanylpentan-2-amine
SMILESCSCC(N)CC(C)(C)C
InChIInChI=1S/C8H19NS/c1-8(2,3)5-7(9)6-10-4/h7H,5-6,9H2,1-4H3
InChIKeyZAEDYNWRDQBSDB-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-5,5-dimethylhexan-1-ol
CID 58554650
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433
3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759
(2R)-1-methylsulfanylpentan-2-amine
CID 94552222
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394
(2R)-4,4-dimethylpentan-2-amine;hydrochloride
CID 164901043
2,2,4,8,10-pentamethylundecan-6-amine
CID 114201813
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
1-methylsulfanyloctan-2-amine
CID 62693396
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
CID 117241671
1,1,1-trifluoro-4,4-dimethylpentan-2-amine
CID 63898477

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-methylsulfanylpentan-2-amine?
The IUPAC name of 4,4-dimethyl-1-methylsulfanylpentan-2-amine (CID 117241768) is 4,4-dimethyl-1-methylsulfanylpentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-1-methylsulfanylpentan-2-amine?
The canonical SMILES for 4,4-dimethyl-1-methylsulfanylpentan-2-amine is CSCC(N)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-methylsulfanylpentan-2-amine?
The InChIKey is ZAEDYNWRDQBSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8(2,3)5-7(9)6-10-4/h7H,5-6,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-methylsulfanylpentan-2-amine?
4,4-dimethyl-1-methylsulfanylpentan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-methylsulfanylpentan-2-amine is sourced from PubChem (CID 117241768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).