2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine

C11H25NS — CID 155140813

IUPAC2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine
SMILESCCC(C)(C)CCSCCN(C)C
InChIInChI=1S/C11H25NS/c1-6-11(2,3)7-9-13-10-8-12(4)5/h6-10H2,1-5H3
InChIKeyDBUIUSSEBHUFBU-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.11
Rot. Bonds7

About 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine

2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine (PubChem CID 155140813) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine
PubChem CID155140813
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine
SMILESCCC(C)(C)CCSCCN(C)C
InChIInChI=1S/C11H25NS/c1-6-11(2,3)7-9-13-10-8-12(4)5/h6-10H2,1-5H3
InChIKeyDBUIUSSEBHUFBU-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 21060470
CID 21060470
CID 21060472
CID 21060472
CID 59749887
CID 59749887
CID 87240400
CID 87240400
CID 123430592
CID 123430592
CID 129118346
CID 129118346
CID 129121244
CID 129121244
CID 130474518
CID 130474518
CID 134275555
CID 134275555
CID 134275557
CID 134275557
CID 134275558
CID 134275558
CID 154677669
CID 154677669

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine (CID 155140813) is 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine is CCC(C)(C)CCSCCN(C)C.
What is the InChIKey of 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine?
The InChIKey is DBUIUSSEBHUFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-11(2,3)7-9-13-10-8-12(4)5/h6-10H2,1-5H3.
What are the key properties of 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine?
2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine has a molecular weight of 203.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpentylsulfanyl)-N,N-dimethylethanamine is sourced from PubChem (CID 155140813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).