N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine

C26H30N4 — CID 101381014

IUPACN,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN(CC)Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1
InChIInChI=1S/C26H30N4/c1-3-29(19-23-15-13-21-9-5-7-11-25(21)27-23)17-18-30(4-2)20-24-16-14-22-10-6-8-12-26(22)28-24/h5-16H,3-4,17-20H2,1-2H3
InChIKeySCEJAZLSMYWSOY-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.13
Rot. Bonds9

About N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine

N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 101381014) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
PubChem CID101381014
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC NameN,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN(CC)Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1
InChIInChI=1S/C26H30N4/c1-3-29(19-23-15-13-21-9-5-7-11-25(21)27-23)17-18-30(4-2)20-24-16-14-22-10-6-8-12-26(22)28-24/h5-16H,3-4,17-20H2,1-2H3
InChIKeySCEJAZLSMYWSOY-UHFFFAOYSA-N
XLogP5.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76928803
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine
CID 50978297
cadmium(2+);chloroform;N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine;diperchlorate
CID 139160361
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
N-[[7-(diethylaminomethyl)-1,8-naphthyridin-2-yl]methyl]-N-ethylethanamine
CID 12975075
S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
CID 143852851
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine (CID 101381014) is N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine is CCN(CCN(CC)Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1.
What is the InChIKey of N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is SCEJAZLSMYWSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4/c1-3-29(19-23-15-13-21-9-5-7-11-25(21)27-23)17-18-30(4-2)20-24-16-14-22-10-6-8-12-26(22)28-24/h5-16H,3-4,17-20H2,1-2H3.
What are the key properties of N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine?
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 398.55 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 101381014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).