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

C18H26N4 — CID 91808024

IUPACN'-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
InChIKeyMIKRWQRFDGLBCF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.41
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 91808024) 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 CID91808024
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
SMILESCNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
InChIKeyMIKRWQRFDGLBCF-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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 91808024) 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 CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)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 MIKRWQRFDGLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/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 2.41, 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 91808024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).