N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine

C11H25N3 — CID 115206064

IUPACN-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCC1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-3-12-7-8-13-6-4-11-5-9-14(2)10-11/h11-13H,3-10H2,1-2H3
InChIKeyOSUQWIPAERIYSF-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.53
Rot. Bonds7

About N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine

N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 115206064) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
PubChem CID115206064
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCC1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-3-12-7-8-13-6-4-11-5-9-14(2)10-11/h11-13H,3-10H2,1-2H3
InChIKeyOSUQWIPAERIYSF-UHFFFAOYSA-N
XLogP0.53
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115251067
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220913
N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981099
1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropan-1-amine
CID 115256999
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
3-methyl-2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115252234
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243109
2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 114515462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine (CID 115206064) is N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine is CCNCCNCCC1CCN(C)C1.
What is the InChIKey of N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is OSUQWIPAERIYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-12-7-8-13-6-4-11-5-9-14(2)10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine?
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115206064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).