N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine

C10H23NOS — CID 65175780

IUPACN-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCCOCCCNCC(C)CSC
InChIInChI=1S/C10H23NOS/c1-4-12-7-5-6-11-8-10(2)9-13-3/h10-11H,4-9H2,1-3H3
InChIKeyZHRBKJNSNOYIGO-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.00
Rot. Bonds9

About N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 65175780) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID65175780
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC NameN-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCCOCCCNCC(C)CSC
InChIInChI=1S/C10H23NOS/c1-4-12-7-5-6-11-8-10(2)9-13-3/h10-11H,4-9H2,1-3H3
InChIKeyZHRBKJNSNOYIGO-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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Related Compounds

2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158
N-(3-ethoxypropyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666209
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 65175780) is N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine is CCOCCCNCC(C)CSC.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is ZHRBKJNSNOYIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-12-7-5-6-11-8-10(2)9-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-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-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 65175780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).