2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine

C15H28N4O — CID 79065855

IUPAC2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(N)C(C)(CC)N2CCOCC2)cn1
InChIInChI=1S/C15H28N4O/c1-4-6-19-12-13(11-17-19)14(16)15(3,5-2)18-7-9-20-10-8-18/h11-12,14H,4-10,16H2,1-3H3
InChIKeyDLXACJQTPZAFOC-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.79
Rot. Bonds6

About 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine

2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine (PubChem CID 79065855) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
PubChem CID79065855
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(N)C(C)(CC)N2CCOCC2)cn1
InChIInChI=1S/C15H28N4O/c1-4-6-19-12-13(11-17-19)14(16)15(3,5-2)18-7-9-20-10-8-18/h11-12,14H,4-10,16H2,1-3H3
InChIKeyDLXACJQTPZAFOC-UHFFFAOYSA-N
XLogP1.79
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine (CID 79065855) is 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine is CCCn1cc(C(N)C(C)(CC)N2CCOCC2)cn1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The InChIKey is DLXACJQTPZAFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-6-19-12-13(11-17-19)14(16)15(3,5-2)18-7-9-20-10-8-18/h11-12,14H,4-10,16H2,1-3H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine?
2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 79065855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).