N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine

C23H22N6 — CID 175404496

IUPACN'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine
SMILESCN(CC(c1ccccn1)N(c1ccccn1)c1ccccn1)c1ccccn1
InChIInChI=1S/C23H22N6/c1-28(21-11-3-7-15-25-21)18-20(19-10-2-6-14-24-19)29(22-12-4-8-16-26-22)23-13-5-9-17-27-23/h2-17,20H,18H2,1H3
InChIKeyHBBUWZSSDJPTOF-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.28
Rot. Bonds7

About N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine

N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine (PubChem CID 175404496) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine
PubChem CID175404496
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC NameN'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine
SMILESCN(CC(c1ccccn1)N(c1ccccn1)c1ccccn1)c1ccccn1
InChIInChI=1S/C23H22N6/c1-28(21-11-3-7-15-25-21)18-20(19-10-2-6-14-24-19)29(22-12-4-8-16-26-22)23-13-5-9-17-27-23/h2-17,20H,18H2,1H3
InChIKeyHBBUWZSSDJPTOF-UHFFFAOYSA-N
XLogP4.28
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
N-(dipyridin-2-ylmethyl)-N-pyridin-2-ylpyridin-2-amine
CID 101462548
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
2-ethyl-N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 115251395
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
CID 115254408
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine
CID 91614077
N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine
CID 89132307
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
CID 115253091

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine (CID 175404496) is N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine is CN(CC(c1ccccn1)N(c1ccccn1)c1ccccn1)c1ccccn1.
What is the InChIKey of N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine?
The InChIKey is HBBUWZSSDJPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-28(21-11-3-7-15-25-21)18-20(19-10-2-6-14-24-19)29(22-12-4-8-16-26-22)23-13-5-9-17-27-23/h2-17,20H,18H2,1H3.
What are the key properties of N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine?
N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine has a molecular weight of 382.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 175404496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).