2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide

C9H18N2O — CID 62397142

IUPAC2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
SMILESCCC(CN)C(=O)NC1CC1C
InChIInChI=1S/C9H18N2O/c1-3-7(5-10)9(12)11-8-4-6(8)2/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyFYMHMYPEMKGABY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.50
Rot. Bonds4

About 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide

2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide (PubChem CID 62397142) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
PubChem CID62397142
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
SMILESCCC(CN)C(=O)NC1CC1C
InChIInChI=1S/C9H18N2O/c1-3-7(5-10)9(12)11-8-4-6(8)2/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyFYMHMYPEMKGABY-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide (CID 62397142) is 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide is CCC(CN)C(=O)NC1CC1C.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide?
The InChIKey is FYMHMYPEMKGABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-7(5-10)9(12)11-8-4-6(8)2/h6-8H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide?
2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide has a molecular weight of 170.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide is sourced from PubChem (CID 62397142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).