[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine

C14H26N4O — CID 103573225

IUPAC[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine
SMILESCCCn1cc(C2C(CN)OCCN2C(C)C)cn1
InChIInChI=1S/C14H26N4O/c1-4-5-17-10-12(9-16-17)14-13(8-15)19-7-6-18(14)11(2)3/h9-11,13-14H,4-8,15H2,1-3H3
InChIKeyHTHYAGJQLLMBOD-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.40
Rot. Bonds5

About [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine

[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine (PubChem CID 103573225) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine
PubChem CID103573225
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine
SMILESCCCn1cc(C2C(CN)OCCN2C(C)C)cn1
InChIInChI=1S/C14H26N4O/c1-4-5-17-10-12(9-16-17)14-13(8-15)19-7-6-18(14)11(2)3/h9-11,13-14H,4-8,15H2,1-3H3
InChIKeyHTHYAGJQLLMBOD-UHFFFAOYSA-N
XLogP1.40
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine (CID 103573225) is [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine is CCCn1cc(C2C(CN)OCCN2C(C)C)cn1.
What is the InChIKey of [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine?
The InChIKey is HTHYAGJQLLMBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-5-17-10-12(9-16-17)14-13(8-15)19-7-6-18(14)11(2)3/h9-11,13-14H,4-8,15H2,1-3H3.
What are the key properties of [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine?
[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 103573225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).