2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine

C10H23NS — CID 103699635

IUPAC2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
SMILESCCC(C)(C)CNCCCSC
InChIInChI=1S/C10H23NS/c1-5-10(2,3)9-11-7-6-8-12-4/h11H,5-9H2,1-4H3
InChIKeyZOVLUVIVTSMVNL-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.77
Rot. Bonds7

About 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine

2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine (PubChem CID 103699635) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
PubChem CID103699635
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
SMILESCCC(C)(C)CNCCCSC
InChIInChI=1S/C10H23NS/c1-5-10(2,3)9-11-7-6-8-12-4/h11H,5-9H2,1-4H3
InChIKeyZOVLUVIVTSMVNL-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
CID 106290245
2-methyl-3-(3-methylsulfanylpropylamino)propane-1,2-diol
CID 66169425
methyl 2,2-dimethyl-3-(3-methylsulfanylpropylamino)propanoate
CID 79623355
N-(2,2-dimethylbutyl)hept-6-en-1-amine
CID 107007207
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
3,3-dimethyl-4-(2-methylsulfanylethylamino)butan-1-ol
CID 106146552
2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
CID 106275046
2-(3-methylsulfanylpropylamino)ethanethiol
CID 130737120
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine (CID 103699635) is 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine is CCC(C)(C)CNCCCSC.
What is the InChIKey of 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine?
The InChIKey is ZOVLUVIVTSMVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-10(2,3)9-11-7-6-8-12-4/h11H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine?
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine is sourced from PubChem (CID 103699635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).