N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C16H22N4 — CID 104822388

IUPACN-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2cccc(C)n2)cn1
InChIInChI=1S/C16H22N4/c1-12-7-8-14(10-18-12)16(9-17)20(3)11-15-6-4-5-13(2)19-15/h4-8,10,16H,9,11,17H2,1-3H3
InChIKeyDIPSKEJBKAWRFO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 104822388) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID104822388
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2cccc(C)n2)cn1
InChIInChI=1S/C16H22N4/c1-12-7-8-14(10-18-12)16(9-17)20(3)11-15-6-4-5-13(2)19-15/h4-8,10,16H,9,11,17H2,1-3H3
InChIKeyDIPSKEJBKAWRFO-UHFFFAOYSA-N
XLogP2.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 103569698
1-(3-chloro-5-fluorophenyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 114453496
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
N-methyl-N-(3-methylbutyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822189
N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822245
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
N-methyl-1-(6-methyl-3-pyridinyl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 104822193
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 104711102
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 113457090

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 104822388) is N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is Cc1ccc(C(CN)N(C)Cc2cccc(C)n2)cn1.
What is the InChIKey of N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is DIPSKEJBKAWRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-7-8-14(10-18-12)16(9-17)20(3)11-15-6-4-5-13(2)19-15/h4-8,10,16H,9,11,17H2,1-3H3.
What are the key properties of N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N-methyl-1-(6-methyl-3-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.23, 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-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104822388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).