(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine

C28H30N4 — CID 177492952

IUPAC(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N(C)Cc1ccccn1
InChIInChI=1S/C28H30N4/c1-31(21-25-17-9-11-19-29-25)27(23-13-5-3-6-14-23)28(24-15-7-4-8-16-24)32(2)22-26-18-10-12-20-30-26/h3-20,27-28H,21-22H2,1-2H3/t27-,28-/m1/s1
InChIKeyZQQYBRZRYUWOHH-VSGBNLITSA-N
MW422.58 g/mol
LogP5.52
Rot. Bonds9

About (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine

(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 177492952) has the molecular formula C28H30N4 and a molecular weight of 422.58 g/mol. Its IUPAC name is (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID177492952
Molecular FormulaC28H30N4
Molecular Weight422.58 g/mol
Exact Mass422.25
IUPAC Name(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N(C)Cc1ccccn1
InChIInChI=1S/C28H30N4/c1-31(21-25-17-9-11-19-29-25)27(23-13-5-3-6-14-23)28(24-15-7-4-8-16-24)32(2)22-26-18-10-12-20-30-26/h3-20,27-28H,21-22H2,1-2H3/t27-,28-/m1/s1
InChIKeyZQQYBRZRYUWOHH-VSGBNLITSA-N
XLogP5.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
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
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 129359313
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 79408815
N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 56790019
3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide
CID 64536514
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 177492952) is (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(Cc1ccccn1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N(C)Cc1ccccn1.
What is the InChIKey of (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZQQYBRZRYUWOHH-VSGBNLITSA-N. The full InChI is InChI=1S/C28H30N4/c1-31(21-25-17-9-11-19-29-25)27(23-13-5-3-6-14-23)28(24-15-7-4-8-16-24)32(2)22-26-18-10-12-20-30-26/h3-20,27-28H,21-22H2,1-2H3/t27-,28-/m1/s1.
What are the key properties of (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine?
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 422.58 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 177492952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).