N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide

C13H25N3O2 — CID 119574545

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NC(C)(CN)C2CC2)C1
InChIInChI=1S/C13H25N3O2/c1-3-16-6-7-18-11(8-16)12(17)15-13(2,9-14)10-4-5-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyVZMNKLPJMNCRSF-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.05
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide (PubChem CID 119574545) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide
PubChem CID119574545
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NC(C)(CN)C2CC2)C1
InChIInChI=1S/C13H25N3O2/c1-3-16-6-7-18-11(8-16)12(17)15-13(2,9-14)10-4-5-10/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyVZMNKLPJMNCRSF-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide (CID 119574545) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide is CCN1CCOC(C(=O)NC(C)(CN)C2CC2)C1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide?
The InChIKey is VZMNKLPJMNCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-16-6-7-18-11(8-16)12(17)15-13(2,9-14)10-4-5-10/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 119574545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).