N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine

C11H25NS — CID 59169987

IUPACN-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCCN(CCCSC)CC(C)(C)C
InChIInChI=1S/C11H25NS/c1-6-12(8-7-9-13-5)10-11(2,3)4/h6-10H2,1-5H3
InChIKeyBVCPLHOYMMPLGX-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.11
Rot. Bonds6

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

N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine (PubChem CID 59169987) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
PubChem CID59169987
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCCN(CCCSC)CC(C)(C)C
InChIInChI=1S/C11H25NS/c1-6-12(8-7-9-13-5)10-11(2,3)4/h6-10H2,1-5H3
InChIKeyBVCPLHOYMMPLGX-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine (CID 59169987) is N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine is CCN(CCCSC)CC(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The InChIKey is BVCPLHOYMMPLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-6-12(8-7-9-13-5)10-11(2,3)4/h6-10H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine?
N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 59169987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).