5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine

C12H20N4 — CID 62477029

IUPAC5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
SMILESCc1cc(N)cnc1N1CCCN(C)CC1
InChIInChI=1S/C12H20N4/c1-10-8-11(13)9-14-12(10)16-5-3-4-15(2)6-7-16/h8-9H,3-7,13H2,1-2H3
InChIKeyXJYFXGPPFNXULT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.11
Rot. Bonds1

About 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine

5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine (PubChem CID 62477029) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
PubChem CID62477029
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
SMILESCc1cc(N)cnc1N1CCCN(C)CC1
InChIInChI=1S/C12H20N4/c1-10-8-11(13)9-14-12(10)16-5-3-4-15(2)6-7-16/h8-9H,3-7,13H2,1-2H3
InChIKeyXJYFXGPPFNXULT-UHFFFAOYSA-N
XLogP1.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The IUPAC name of 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine (CID 62477029) is 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine is Cc1cc(N)cnc1N1CCCN(C)CC1.
What is the InChIKey of 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The InChIKey is XJYFXGPPFNXULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-8-11(13)9-14-12(10)16-5-3-4-15(2)6-7-16/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 62477029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).