1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine

C16H30N4 — CID 103570754

IUPAC1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
SMILESCCCN1CCCCC(CNC)C1c1cnn(CC)c1
InChIInChI=1S/C16H30N4/c1-4-9-19-10-7-6-8-14(11-17-3)16(19)15-12-18-20(5-2)13-15/h12-14,16-17H,4-11H2,1-3H3
InChIKeyIYAQZYUGLAGHRG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine

1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine (PubChem CID 103570754) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
PubChem CID103570754
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
SMILESCCCN1CCCCC(CNC)C1c1cnn(CC)c1
InChIInChI=1S/C16H30N4/c1-4-9-19-10-7-6-8-14(11-17-3)16(19)15-12-18-20(5-2)13-15/h12-14,16-17H,4-11H2,1-3H3
InChIKeyIYAQZYUGLAGHRG-UHFFFAOYSA-N
XLogP2.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 103570733
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine
CID 103573230
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine
CID 113373161
1-[1-ethyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 104823700
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine (CID 103570754) is 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine is CCCN1CCCCC(CNC)C1c1cnn(CC)c1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
The InChIKey is IYAQZYUGLAGHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-9-19-10-7-6-8-14(11-17-3)16(19)15-12-18-20(5-2)13-15/h12-14,16-17H,4-11H2,1-3H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103570754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).