N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C15H20N4 — CID 104822149

IUPACN-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccncc2)cn1
InChIInChI=1S/C15H20N4/c1-12-3-4-14(10-18-12)15(9-16)19(2)11-13-5-7-17-8-6-13/h3-8,10,15H,9,11,16H2,1-2H3
InChIKeyGRGXWBRBBOVZFT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 104822149) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID104822149
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccncc2)cn1
InChIInChI=1S/C15H20N4/c1-12-3-4-14(10-18-12)15(9-16)19(2)11-13-5-7-17-8-6-13/h3-8,10,15H,9,11,16H2,1-2H3
InChIKeyGRGXWBRBBOVZFT-UHFFFAOYSA-N
XLogP1.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 104822388
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 103569459
N-methyl-N-(3-methylbutyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822189
2-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 112709279
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822245
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 104822149) is N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)Cc2ccncc2)cn1.
What is the InChIKey of N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is GRGXWBRBBOVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-3-4-14(10-18-12)15(9-16)19(2)11-13-5-7-17-8-6-13/h3-8,10,15H,9,11,16H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 104822149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).