N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine

C15H34N4 — CID 81469093

IUPACN-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H34N4/c1-6-18(7-2)10-8-16-9-11-19-12-14(3)15(13-19)17(4)5/h14-16H,6-13H2,1-5H3
InChIKeyGWBKSGBFHYNVAX-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.80
Rot. Bonds9

About N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 81469093) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID81469093
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC NameN-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H34N4/c1-6-18(7-2)10-8-16-9-11-19-12-14(3)15(13-19)17(4)5/h14-16H,6-13H2,1-5H3
InChIKeyGWBKSGBFHYNVAX-UHFFFAOYSA-N
XLogP0.80
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine (CID 81469093) is N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCN1CC(C)C(N(C)C)C1.
What is the InChIKey of N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is GWBKSGBFHYNVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-6-18(7-2)10-8-16-9-11-19-12-14(3)15(13-19)17(4)5/h14-16H,6-13H2,1-5H3.
What are the key properties of N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 81469093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).