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

C10H23N3 — CID 143093891

IUPACN'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCC1CCN(CCNCCN)C1
InChIInChI=1S/C10H23N3/c1-2-10-3-7-13(9-10)8-6-12-5-4-11/h10,12H,2-9,11H2,1H3
InChIKeyLFPLLGJFQGTQLF-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.27
Rot. Bonds6

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

N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 143093891) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID143093891
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCC1CCN(CCNCCN)C1
InChIInChI=1S/C10H23N3/c1-2-10-3-7-13(9-10)8-6-12-5-4-11/h10,12H,2-9,11H2,1H3
InChIKeyLFPLLGJFQGTQLF-UHFFFAOYSA-N
XLogP0.27
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.27
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-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 145422276
amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol
CID 142001257
(3-ethylpyrrolidin-1-yl)methanamine
CID 57317446
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
1,3-diethylpyrrolidine;ethane
CID 145103245

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine (CID 143093891) is N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine is CCC1CCN(CCNCCN)C1.
What is the InChIKey of N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is LFPLLGJFQGTQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-2-10-3-7-13(9-10)8-6-12-5-4-11/h10,12H,2-9,11H2,1H3.
What are the key properties of N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine?
N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 143093891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).