N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine

C18H26N4 — CID 121300990

IUPACN-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(N)nc(CCc2cccc(NCCN(C)C)c2)c1
InChIInChI=1S/C18H26N4/c1-14-11-17(21-18(19)12-14)8-7-15-5-4-6-16(13-15)20-9-10-22(2)3/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
InChIKeyRASJCIVUOVCJDB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.73
Rot. Bonds7

About N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 121300990) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID121300990
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(N)nc(CCc2cccc(NCCN(C)C)c2)c1
InChIInChI=1S/C18H26N4/c1-14-11-17(21-18(19)12-14)8-7-15-5-4-6-16(13-15)20-9-10-22(2)3/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
InChIKeyRASJCIVUOVCJDB-UHFFFAOYSA-N
XLogP2.73
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Blonanserin
CID 125564
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-((3S,4S)-4-((6-Amino-4-methylpyridin-2-YL)methyl)pyrrolidin-3-YL)-N'-(4-chlorobenzyl)ethane-1,2-diamine
CID 24798097
N-((3R,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N'-(3-chlorobenzyl)ethane-1,2-diamine
CID 25021186
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
L-375378
CID 154118
N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
CID 24850786
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
Nct-503
CID 118796328
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 121300990) is N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine is Cc1cc(N)nc(CCc2cccc(NCCN(C)C)c2)c1.
What is the InChIKey of N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RASJCIVUOVCJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-11-17(21-18(19)12-14)8-7-15-5-4-6-16(13-15)20-9-10-22(2)3/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21).
What are the key properties of N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121300990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).