[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine

C14H23N3 — CID 104823698

IUPAC[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine
SMILESCc1ccc(C2C(CN)CCCCN2C)cn1
InChIInChI=1S/C14H23N3/c1-11-6-7-13(10-16-11)14-12(9-15)5-3-4-8-17(14)2/h6-7,10,12,14H,3-5,8-9,15H2,1-2H3
InChIKeyPUBRDZSXLBHQNR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.12
Rot. Bonds2

About [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine

[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine (PubChem CID 104823698) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine
PubChem CID104823698
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine
SMILESCc1ccc(C2C(CN)CCCCN2C)cn1
InChIInChI=1S/C14H23N3/c1-11-6-7-13(10-16-11)14-12(9-15)5-3-4-8-17(14)2/h6-7,10,12,14H,3-5,8-9,15H2,1-2H3
InChIKeyPUBRDZSXLBHQNR-UHFFFAOYSA-N
XLogP2.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-methyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]methanamine
CID 104823699
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 114938579
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752
1-[1-ethyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 104823700
[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 95241129
[2-(3-bromothiophen-2-yl)-1-methylazepan-3-yl]methanamine
CID 115381356
2-(6-methyl-3-pyridinyl)cycloheptan-1-amine
CID 63156067
[(2S,3R)-2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 91647555

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine?
The IUPAC name of [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine (CID 104823698) is [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine?
The canonical SMILES for [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine is Cc1ccc(C2C(CN)CCCCN2C)cn1.
What is the InChIKey of [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine?
The InChIKey is PUBRDZSXLBHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-6-7-13(10-16-11)14-12(9-15)5-3-4-8-17(14)2/h6-7,10,12,14H,3-5,8-9,15H2,1-2H3.
What are the key properties of [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine?
[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine is sourced from PubChem (CID 104823698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).