N,N,2-trimethyl-1-methylsulfanylhexan-1-amine

C10H23NS — CID 123172580

IUPACN,N,2-trimethyl-1-methylsulfanylhexan-1-amine
SMILESCCCCC(C)C(SC)N(C)C
InChIInChI=1S/C10H23NS/c1-6-7-8-9(2)10(12-5)11(3)4/h9-10H,6-8H2,1-5H3
InChIKeyFZBKDPVJFDZWMG-UHFFFAOYSA-N
MW189.37 g/mol
LogP3.06
Rot. Bonds6

About N,N,2-trimethyl-1-methylsulfanylhexan-1-amine

N,N,2-trimethyl-1-methylsulfanylhexan-1-amine (PubChem CID 123172580) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N,N,2-trimethyl-1-methylsulfanylhexan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-methylsulfanylhexan-1-amine
PubChem CID123172580
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN,N,2-trimethyl-1-methylsulfanylhexan-1-amine
SMILESCCCCC(C)C(SC)N(C)C
InChIInChI=1S/C10H23NS/c1-6-7-8-9(2)10(12-5)11(3)4/h9-10H,6-8H2,1-5H3
InChIKeyFZBKDPVJFDZWMG-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-ethylhexylsulfanylmethyl)ethanamine
CID 328288
2-[(Dimethylamino)methyl]hexane-1-thiol
CID 23362449
3-(4-Methylpentyl)-1,3-thiazolidine
CID 58357315
1-Methyl-3-(methylsulfanylmethyl)piperidine
CID 58701366
3-(2,4-dimethylpentan-3-ylsulfanyl)-N,N-dimethylpropan-1-amine
CID 89719465
N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine
CID 90709413
N,N-diethyl-2-(methylsulfanylmethyl)heptan-1-amine
CID 91322949
1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine
CID 118445226
N-(ethylsulfanylmethyl)-N,2,4-trimethylnonan-1-amine
CID 123528253
N-butyl-1-ethylsulfanyl-3-methyl-N-propylhexan-1-amine
CID 123724327
2,3,5-Trimethyl-1,3-thiazocane
CID 123785496
1,3-Dimethyl-5-methylsulfanylpiperidine
CID 123831026

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-methylsulfanylhexan-1-amine?
The IUPAC name of N,N,2-trimethyl-1-methylsulfanylhexan-1-amine (CID 123172580) is N,N,2-trimethyl-1-methylsulfanylhexan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-1-methylsulfanylhexan-1-amine?
The canonical SMILES for N,N,2-trimethyl-1-methylsulfanylhexan-1-amine is CCCCC(C)C(SC)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-methylsulfanylhexan-1-amine?
The InChIKey is FZBKDPVJFDZWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-6-7-8-9(2)10(12-5)11(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-methylsulfanylhexan-1-amine?
N,N,2-trimethyl-1-methylsulfanylhexan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-methylsulfanylhexan-1-amine is sourced from PubChem (CID 123172580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).