2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide

C13H26N2O — CID 63843687

IUPAC2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
SMILESCCC(CC)C(C)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H26N2O/c1-5-10(6-2)9(3)15-12(16)13(4,14)11-7-8-11/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyWRUINJVMIDVQIK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds6

About 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide

2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide (PubChem CID 63843687) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
PubChem CID63843687
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
SMILESCCC(CC)C(C)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C13H26N2O/c1-5-10(6-2)9(3)15-12(16)13(4,14)11-7-8-11/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyWRUINJVMIDVQIK-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide (CID 63843687) is 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide is CCC(CC)C(C)NC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide?
The InChIKey is WRUINJVMIDVQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-10(6-2)9(3)15-12(16)13(4,14)11-7-8-11/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide?
2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide is sourced from PubChem (CID 63843687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).