[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine

C12H20N4 — CID 62300509

IUPAC[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
SMILESCN1CCCN(c2cccc(CN)n2)CC1
InChIInChI=1S/C12H20N4/c1-15-6-3-7-16(9-8-15)12-5-2-4-11(10-13)14-12/h2,4-5H,3,6-10,13H2,1H3
InChIKeyWIRURXRQXYUYKZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.68
Rot. Bonds2

About [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine

[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine (PubChem CID 62300509) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
PubChem CID62300509
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
SMILESCN1CCCN(c2cccc(CN)n2)CC1
InChIInChI=1S/C12H20N4/c1-15-6-3-7-16(9-8-15)12-5-2-4-11(10-13)14-12/h2,4-5H,3,6-10,13H2,1H3
InChIKeyWIRURXRQXYUYKZ-UHFFFAOYSA-N
XLogP0.68
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-methylpyridine
CID 15765
1-(Pyridin-2-YL)-1,4-diazepane
CID 2772402
(R)-N2-cyclopentyl-4-(3-(methylamino)pyrrolidin-1-yl)pyridine-2,6-diamine
CID 54580885
4-(4-methylpiperazin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54586763
(R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)pyridine-2,6-diamine
CID 54587787
(R)-4-(3-(methylamino)pyrrolidin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54587788
1-methyl-1H,2H,3H,4H,5H-[1,4]diazepino[2,3-b]quinoxaline
CID 2492449
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
1-(6-Methylpyridin-2-yl)-4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazine
CID 11604196
3-(4,6-Dimethylpyrimidin-2-yl)-1-ethyl-1-phenylguanidine
CID 9593725
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(3-Methylpyridin-2-yl)-1,4-diazepane
CID 16740663

Frequently Asked Questions

What is the IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine (CID 62300509) is [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine is CN1CCCN(c2cccc(CN)n2)CC1.
What is the InChIKey of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine?
The InChIKey is WIRURXRQXYUYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-6-3-7-16(9-8-15)12-5-2-4-11(10-13)14-12/h2,4-5H,3,6-10,13H2,1H3.
What are the key properties of [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine?
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62300509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).