N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine

C16H29N3 — CID 62574688

IUPACN'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)Cc1ccccc1
InChIInChI=1S/C16H29N3/c1-4-19(5-2)14-12-17-11-13-18(3)15-16-9-7-6-8-10-16/h6-10,17H,4-5,11-15H2,1-3H3
InChIKeyCCQKRHPYNNQWKG-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.05
Rot. Bonds10

About N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine

N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62574688) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62574688
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCCN(CC)CCNCCN(C)Cc1ccccc1
InChIInChI=1S/C16H29N3/c1-4-19(5-2)14-12-17-11-13-18(3)15-16-9-7-6-8-10-16/h6-10,17H,4-5,11-15H2,1-3H3
InChIKeyCCQKRHPYNNQWKG-UHFFFAOYSA-N
XLogP2.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N'-benzyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 131207952
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
3-[2-[benzyl(methyl)amino]ethylamino]propanamide
CID 130877851
2-[2-[4-[benzyl(methyl)amino]butyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 87797872
N',N'-diethyl-N-(3-phenylpropyl)ethane-1,2-diamine;oxalic acid;hydrate
CID 19869425
N'-benzyl-N-(2-benzylsulfanylethyl)-N'-ethylethane-1,2-diamine
CID 118585186
N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 131135869
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
CID 159486837

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine (CID 62574688) is N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine is CCN(CC)CCNCCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is CCQKRHPYNNQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-19(5-2)14-12-17-11-13-18(3)15-16-9-7-6-8-10-16/h6-10,17H,4-5,11-15H2,1-3H3.
What are the key properties of N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine?
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62574688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).