1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine

C15H28N4 — CID 114557827

IUPAC1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
SMILESCCCN1CCCCC(N)C1c1ccnn1CCC
InChIInChI=1S/C15H28N4/c1-3-10-18-12-6-5-7-13(16)15(18)14-8-9-17-19(14)11-4-2/h8-9,13,15H,3-7,10-12,16H2,1-2H3
InChIKeyHMGIBBMZPXYWDJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.56
Rot. Bonds5

About 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine

1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine (PubChem CID 114557827) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine.

Molecular Properties

Compound Name1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
PubChem CID114557827
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
SMILESCCCN1CCCCC(N)C1c1ccnn1CCC
InChIInChI=1S/C15H28N4/c1-3-10-18-12-6-5-7-13(16)15(18)14-8-9-17-19(14)11-4-2/h8-9,13,15H,3-7,10-12,16H2,1-2H3
InChIKeyHMGIBBMZPXYWDJ-UHFFFAOYSA-N
XLogP2.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine?
The IUPAC name of 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine (CID 114557827) is 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine.
What is the SMILES notation for 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine?
The canonical SMILES for 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine is CCCN1CCCCC(N)C1c1ccnn1CCC.
What is the InChIKey of 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine?
The InChIKey is HMGIBBMZPXYWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-10-18-12-6-5-7-13(16)15(18)14-8-9-17-19(14)11-4-2/h8-9,13,15H,3-7,10-12,16H2,1-2H3.
What are the key properties of 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine?
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine has a molecular weight of 264.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine is sourced from PubChem (CID 114557827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).