N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C21H45N5O — CID 118891655

About N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 118891655) has the molecular formula C21H45N5O and a molecular weight of 383.63 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
• PubChem CID: 118891655
• Molecular Formula: C21H45N5O
• Molecular Weight: 383.63 g/mol
• Exact Mass: 383.36
• IUPAC Name: N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
• SMILES: CN(CCOCCN1CCCC1)CCN(C)CCN(C)CCN1CCCC1
• InChI: InChI=1S/C21H45N5O/c1-22(12-13-23(2)16-17-25-8-4-5-9-25)14-15-24(3)18-20-27-21-19-26-10-6-7-11-26/h4-21H2,1-3H3
• InChIKey: CIPMOUBAAJBZNF-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.63
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?

The IUPAC name of N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 118891655) is N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

What is the SMILES notation for N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?

The canonical SMILES for N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CN(CCOCCN1CCCC1)CCN(C)CCN(C)CCN1CCCC1.

What is the InChIKey of N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?

The InChIKey is CIPMOUBAAJBZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N5O/c1-22(12-13-23(2)16-17-25-8-4-5-9-25)14-15-24(3)18-20-27-21-19-26-10-6-7-11-26/h4-21H2,1-3H3.

What are the key properties of N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?

N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 383.63 g/mol, XLogP of 0.99, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118891655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).