1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one

C9H17NO — CID 155036601

IUPAC1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one
SMILESCC(=O)CNC1(C(C)C)CC1
InChIInChI=1S/C9H17NO/c1-7(2)9(4-5-9)10-6-8(3)11/h7,10H,4-6H2,1-3H3
InChIKeyJETYWAFJUJLMBC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds4

About 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one

1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one (PubChem CID 155036601) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one
PubChem CID155036601
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one
SMILESCC(=O)CNC1(C(C)C)CC1
InChIInChI=1S/C9H17NO/c1-7(2)9(4-5-9)10-6-8(3)11/h7,10H,4-6H2,1-3H3
InChIKeyJETYWAFJUJLMBC-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one?
The IUPAC name of 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one (CID 155036601) is 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one.
What is the SMILES notation for 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one?
The canonical SMILES for 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one is CC(=O)CNC1(C(C)C)CC1.
What is the InChIKey of 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one?
The InChIKey is JETYWAFJUJLMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(4-5-9)10-6-8(3)11/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one?
1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one is sourced from PubChem (CID 155036601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).