4,4-dimethyl-1-methylsulfanylpentan-3-amine

C8H19NS — CID 58482801

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

About 4,4-dimethyl-1-methylsulfanylpentan-3-amine

4,4-dimethyl-1-methylsulfanylpentan-3-amine (PubChem CID 58482801) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-methylsulfanylpentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-methylsulfanylpentan-3-amine
PubChem CID58482801
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name4,4-dimethyl-1-methylsulfanylpentan-3-amine
SMILESCSCCC(N)C(C)(C)C
InChIInChI=1S/C8H19NS/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3
InChIKeyGCIWMQHFHAIIDR-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

(3S)-5-methylsulfanylpent-1-en-3-amine
CID 88911302
(2R)-3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 89006071
3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 58361149
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
3-methylsulfanylpropane-1,1-diol;hydrate
CID 162477816
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
(3S)-2,2-dimethyl-3-(2-methylsulfanylethyl)heptane
CID 134572286
(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2-amino-4-methylsulfanylbutanenitrile;hydrate
CID 141354426
2,2-dimethyldodecan-3-amine
CID 43370499
(3S,4R)-4-amino-3-ethynyl-6-methylsulfanyl-1-trimethylsilylhex-1-yn-3-ol
CID 102290292

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-methylsulfanylpentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-methylsulfanylpentan-3-amine (CID 58482801) is 4,4-dimethyl-1-methylsulfanylpentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-methylsulfanylpentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-methylsulfanylpentan-3-amine is CSCCC(N)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-methylsulfanylpentan-3-amine?
The InChIKey is GCIWMQHFHAIIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-methylsulfanylpentan-3-amine?
4,4-dimethyl-1-methylsulfanylpentan-3-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-3-amine is sourced from PubChem (CID 58482801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).