1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine

C13H22N4 — CID 65069995

IUPAC1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
SMILESCc1nccc(CNC2CCCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-11-14-7-5-13(16-11)10-15-12-4-3-8-17(2)9-6-12/h5,7,12,15H,3-4,6,8-10H2,1-2H3
InChIKeyRSVIZPSKALSTAR-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds3

About 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine

1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine (PubChem CID 65069995) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
PubChem CID65069995
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
SMILESCc1nccc(CNC2CCCN(C)CC2)n1
InChIInChI=1S/C13H22N4/c1-11-14-7-5-13(16-11)10-15-12-4-3-8-17(2)9-6-12/h5,7,12,15H,3-4,6,8-10H2,1-2H3
InChIKeyRSVIZPSKALSTAR-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 62747897
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
CID 61015864
1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 54901970
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
CID 65070599
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60961900
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine (CID 65069995) is 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine is Cc1nccc(CNC2CCCN(C)CC2)n1.
What is the InChIKey of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine?
The InChIKey is RSVIZPSKALSTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-14-7-5-13(16-11)10-15-12-4-3-8-17(2)9-6-12/h5,7,12,15H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine?
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine is sourced from PubChem (CID 65069995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).