2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide

C9H18N2O — CID 123637142

IUPAC2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide
SMILESCNC1(CC(=O)NC(C)C)CC1
InChIInChI=1S/C9H18N2O/c1-7(2)11-8(12)6-9(10-3)4-5-9/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYEEBQPWAZQCBHJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.65
Rot. Bonds4

About 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide

2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide (PubChem CID 123637142) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide
PubChem CID123637142
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide
SMILESCNC1(CC(=O)NC(C)C)CC1
InChIInChI=1S/C9H18N2O/c1-7(2)11-8(12)6-9(10-3)4-5-9/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYEEBQPWAZQCBHJ-UHFFFAOYSA-N
XLogP0.65
TPSA41.13 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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide (CID 123637142) is 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide is CNC1(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide?
The InChIKey is YEEBQPWAZQCBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-8(12)6-9(10-3)4-5-9/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide?
2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide has a molecular weight of 170.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclopropyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 123637142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).