N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine

C28H32N6 — CID 101339503

IUPACN,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC[C@@H](c1ccccn1)N(CCN(Cc1ccccn1)[C@@H](C)c1ccccn1)Cc1ccccn1
InChIInChI=1S/C28H32N6/c1-23(27-13-5-9-17-31-27)33(21-25-11-3-7-15-29-25)19-20-34(22-26-12-4-8-16-30-26)24(2)28-14-6-10-18-32-28/h3-18,23-24H,19-22H2,1-2H3/t23-,24-/m0/s1
InChIKeyWPIWKOOPLKZAPY-ZEQRLZLVSA-N
MW452.61 g/mol
LogP5.09
Rot. Bonds11

About N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine

N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 101339503) has the molecular formula C28H32N6 and a molecular weight of 452.61 g/mol. Its IUPAC name is N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID101339503
Molecular FormulaC28H32N6
Molecular Weight452.61 g/mol
Exact Mass452.27
IUPAC NameN,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC[C@@H](c1ccccn1)N(CCN(Cc1ccccn1)[C@@H](C)c1ccccn1)Cc1ccccn1
InChIInChI=1S/C28H32N6/c1-23(27-13-5-9-17-31-27)33(21-25-11-3-7-15-29-25)19-20-34(22-26-12-4-8-16-30-26)24(2)28-14-6-10-18-32-28/h3-18,23-24H,19-22H2,1-2H3/t23-,24-/m0/s1
InChIKeyWPIWKOOPLKZAPY-ZEQRLZLVSA-N
XLogP5.09
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 70142238
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N'-hydroxy-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanimidamide
CID 54998003
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine
CID 84590033
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
2-[bis[2-[(1-carboxy-2,2-dimethylpropyl)-(pyridin-2-ylmethyl)amino]ethyl]amino]-3,3-dimethylbutanoic acid
CID 67876128
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 71931375

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 101339503) is N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine is C[C@@H](c1ccccn1)N(CCN(Cc1ccccn1)[C@@H](C)c1ccccn1)Cc1ccccn1.
What is the InChIKey of N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is WPIWKOOPLKZAPY-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H32N6/c1-23(27-13-5-9-17-31-27)33(21-25-11-3-7-15-29-25)19-20-34(22-26-12-4-8-16-30-26)24(2)28-14-6-10-18-32-28/h3-18,23-24H,19-22H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 452.61 g/mol, XLogP of 5.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 101339503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).