1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C15H26N4O — CID 124545921

IUPAC1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C15H26N4O/c1-11-15(12(2)18(3)17-11)9-16-8-14-10-19(6-7-20-14)13-4-5-13/h13-14,16H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyMUCJHUMOQQTIOT-AWEZNQCLSA-N
MW278.40 g/mol
LogP0.99
Rot. Bonds5

About 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 124545921) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID124545921
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNC[C@H]1CN(C2CC2)CCO1
InChIInChI=1S/C15H26N4O/c1-11-15(12(2)18(3)17-11)9-16-8-14-10-19(6-7-20-14)13-4-5-13/h13-14,16H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyMUCJHUMOQQTIOT-AWEZNQCLSA-N
XLogP0.99
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 124545921) is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNC[C@H]1CN(C2CC2)CCO1.
What is the InChIKey of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is MUCJHUMOQQTIOT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-15(12(2)18(3)17-11)9-16-8-14-10-19(6-7-20-14)13-4-5-13/h13-14,16H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 124545921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).