2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one

C10H19NO — CID 59349302

IUPAC2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one
SMILESCC(C)NC1(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19NO/c1-7(2)9(12)10(5-6-10)11-8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyQSINFVNTNUIBAY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one

2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one (PubChem CID 59349302) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one
PubChem CID59349302
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one
SMILESCC(C)NC1(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19NO/c1-7(2)9(12)10(5-6-10)11-8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyQSINFVNTNUIBAY-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one (CID 59349302) is 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one is CC(C)NC1(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one?
The InChIKey is QSINFVNTNUIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)9(12)10(5-6-10)11-8(3)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one?
2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(propan-2-ylamino)cyclopropyl]propan-1-one is sourced from PubChem (CID 59349302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).