1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine

C14H26N4 — CID 79584048

IUPAC1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCCN(C)C1c1cnn(C)c1C
InChIInChI=1S/C14H26N4/c1-11-13(10-16-18(11)4)14-12(9-15-2)7-5-6-8-17(14)3/h10,12,14-15H,5-9H2,1-4H3
InChIKeyVGQNAJLYZGQZEB-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine

1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine (PubChem CID 79584048) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
PubChem CID79584048
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCCN(C)C1c1cnn(C)c1C
InChIInChI=1S/C14H26N4/c1-11-13(10-16-18(11)4)14-12(9-15-2)7-5-6-8-17(14)3/h10,12,14-15H,5-9H2,1-4H3
InChIKeyVGQNAJLYZGQZEB-UHFFFAOYSA-N
XLogP1.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine
CID 79584333
1-[1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 79584422
1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
CID 79596667
N-methyl-1-[1-methyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]methanamine
CID 104823699
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
1-[4-cyclopropyl-3-(1,5-dimethylpyrazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 79583955
1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 114938579
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 107125538
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
CID 79584518
1-[2-(3-bromothiophen-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 115381357
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine (CID 79584048) is 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine is CNCC1CCCCN(C)C1c1cnn(C)c1C.
What is the InChIKey of 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine?
The InChIKey is VGQNAJLYZGQZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-13(10-16-18(11)4)14-12(9-15-2)7-5-6-8-17(14)3/h10,12,14-15H,5-9H2,1-4H3.
What are the key properties of 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine?
1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79584048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).