N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine

C10H23NS — CID 143354901

IUPACN,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine
SMILESC=S(=C)(C)N(C)CCC(C)(C)C
InChIInChI=1S/C10H23NS/c1-10(2,3)8-9-11(4)12(5,6)7/h5-6,8-9H2,1-4,7H3
InChIKeyXLDSNSZEEYAKQG-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.57
Rot. Bonds3

About N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine

N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine (PubChem CID 143354901) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine
PubChem CID143354901
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine
SMILESC=S(=C)(C)N(C)CCC(C)(C)C
InChIInChI=1S/C10H23NS/c1-10(2,3)8-9-11(4)12(5,6)7/h5-6,8-9H2,1-4,7H3
InChIKeyXLDSNSZEEYAKQG-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 20793028
[3,3-dimethylbutyl(methyl)amino]methanethiol
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N,N-dihydroxy-3,3-dimethylbutan-1-amine
CID 118571145
N-(3,3-dimethylbutylsilyl)-N-methylmethanamine
CID 123755208
N-tert-butyl-N-ethenyl-3,3-dimethylbutan-1-amine
CID 144774483
N-(3,3-dimethylbutyl)-N-methylazetidin-3-amine
CID 66186139
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856
N-(3,3-dimethylbutyl)-N-methyl-2-(methylamino)acetamide
CID 115152053
(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine
CID 155001490
N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
CID 123310682
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
3-[3,3-dimethylbutyl(methyl)amino]propanenitrile
CID 60684407

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine?
The IUPAC name of N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine (CID 143354901) is N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine is C=S(=C)(C)N(C)CCC(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine?
The InChIKey is XLDSNSZEEYAKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-10(2,3)8-9-11(4)12(5,6)7/h5-6,8-9H2,1-4,7H3.
What are the key properties of N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine?
N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[methyl(dimethylidene)-λ6-sulfanyl]butan-1-amine is sourced from PubChem (CID 143354901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).