N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine

C16H36N4 — CID 63167488

IUPACN-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CCC(N(CC)CC)C1
InChIInChI=1S/C16H36N4/c1-5-18(6-2)13-10-17-11-14-19-12-9-16(15-19)20(7-3)8-4/h16-17H,5-15H2,1-4H3
InChIKeyOYTWUVPZPBRLBH-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.33
Rot. Bonds11

About N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 63167488) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID63167488
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC NameN-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CCC(N(CC)CC)C1
InChIInChI=1S/C16H36N4/c1-5-18(6-2)13-10-17-11-14-19-12-9-16(15-19)20(7-3)8-4/h16-17H,5-15H2,1-4H3
InChIKeyOYTWUVPZPBRLBH-UHFFFAOYSA-N
XLogP1.33
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916
N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 114540396
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167533
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 81469093
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
N'-cyclopropyl-N'-ethyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 114132993
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62773682
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 83221004
1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167572

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine (CID 63167488) is N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCN1CCC(N(CC)CC)C1.
What is the InChIKey of N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is OYTWUVPZPBRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-5-18(6-2)13-10-17-11-14-19-12-9-16(15-19)20(7-3)8-4/h16-17H,5-15H2,1-4H3.
What are the key properties of N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 1.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 63167488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).