N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine

C10H23NOS — CID 63857624

IUPACN-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine
SMILESCOCCCSCCNCC(C)C
InChIInChI=1S/C10H23NOS/c1-10(2)9-11-5-8-13-7-4-6-12-3/h10-11H,4-9H2,1-3H3
InChIKeyBTBMVERSERFZDW-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.00
Rot. Bonds9

About N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine

N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine (PubChem CID 63857624) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine
PubChem CID63857624
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC NameN-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine
SMILESCOCCCSCCNCC(C)C
InChIInChI=1S/C10H23NOS/c1-10(2)9-11-5-8-13-7-4-6-12-3/h10-11H,4-9H2,1-3H3
InChIKeyBTBMVERSERFZDW-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine (CID 63857624) is N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine is COCCCSCCNCC(C)C.
What is the InChIKey of N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is BTBMVERSERFZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(2)9-11-5-8-13-7-4-6-12-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine?
N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylsulfanyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63857624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).