N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine

C58H130N4O2S2 — CID 157398427

About N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine

N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine (PubChem CID 157398427) has the molecular formula C58H130N4O2S2 and a molecular weight of 979.84 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine.

Molecular Properties

• Compound Name: N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
• PubChem CID: 157398427
• Molecular Formula: C58H130N4O2S2
• Molecular Weight: 979.84 g/mol
• Exact Mass: 978.96
• IUPAC Name: N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
• SMILES: CC(C)CCN(C)C(C)(C)CC(C)C.CC(C)CCN(C)CC(C)(C)C(C)C.CC(C)CN(C)CCN(C)CC(C)C.CC(C)COCCOCC(C)C.CC(C)CSCCSCC(C)C
• InChI: InChI=1S/2C13H29N.C12H28N2.C10H22O2.C10H22S2/c1-11(2)8-9-14(7)10-13(5,6)12(3)4;1-11(2)8-9-14(7)13(5,6)10-12(3)4;1-11(2)9-13(5)7-8-14(6)10-12(3)4;2*1-9(2)7-11-5-6-12-8-10(3)4/h2*11-12H,8-10H2,1-7H3;11-12H,7-10H2,1-6H3;2*9-10H,5-8H2,1-4H3
• InChIKey: BMVXKCMFWCNDMO-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 31.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 33
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.84
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?

The IUPAC name of N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine (CID 157398427) is N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine.

What is the SMILES notation for N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?

The canonical SMILES for N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine is CC(C)CCN(C)C(C)(C)CC(C)C.CC(C)CCN(C)CC(C)(C)C(C)C.CC(C)CN(C)CCN(C)CC(C)C.CC(C)COCCOCC(C)C.CC(C)CSCCSCC(C)C.

What is the InChIKey of N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?

The InChIKey is BMVXKCMFWCNDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H29N.C12H28N2.C10H22O2.C10H22S2/c1-11(2)8-9-14(7)10-13(5,6)12(3)4;1-11(2)8-9-14(7)13(5,6)10-12(3)4;1-11(2)9-13(5)7-8-14(6)10-12(3)4;2*1-9(2)7-11-5-6-12-8-10(3)4/h2*11-12H,8-10H2,1-7H3;11-12H,7-10H2,1-6H3;2*9-10H,5-8H2,1-4H3.

What are the key properties of N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine?

N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine has a molecular weight of 979.84 g/mol, XLogP of 15.69, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-dimethyl-N,N'-bis(2-methylpropyl)ethane-1,2-diamine;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane;2-methyl-1-[2-(2-methylpropylsulfanyl)ethylsulfanyl]propane;N,2,2,3-tetramethyl-N-(3-methylbutyl)butan-1-amine;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine is sourced from PubChem (CID 157398427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).