2-amino-2-cyclopropyl-4-methylheptan-3-one

C11H21NO — CID 107889935

IUPAC2-amino-2-cyclopropyl-4-methylheptan-3-one
SMILESCCCC(C)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H21NO/c1-4-5-8(2)10(13)11(3,12)9-6-7-9/h8-9H,4-7,12H2,1-3H3
InChIKeyXIALODRRXHJWDE-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-2-cyclopropyl-4-methylheptan-3-one

2-amino-2-cyclopropyl-4-methylheptan-3-one (PubChem CID 107889935) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-4-methylheptan-3-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-4-methylheptan-3-one
PubChem CID107889935
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-amino-2-cyclopropyl-4-methylheptan-3-one
SMILESCCCC(C)C(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H21NO/c1-4-5-8(2)10(13)11(3,12)9-6-7-9/h8-9H,4-7,12H2,1-3H3
InChIKeyXIALODRRXHJWDE-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-4-methylheptan-3-one?
The IUPAC name of 2-amino-2-cyclopropyl-4-methylheptan-3-one (CID 107889935) is 2-amino-2-cyclopropyl-4-methylheptan-3-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-4-methylheptan-3-one?
The canonical SMILES for 2-amino-2-cyclopropyl-4-methylheptan-3-one is CCCC(C)C(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-4-methylheptan-3-one?
The InChIKey is XIALODRRXHJWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-8(2)10(13)11(3,12)9-6-7-9/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-2-cyclopropyl-4-methylheptan-3-one?
2-amino-2-cyclopropyl-4-methylheptan-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-4-methylheptan-3-one is sourced from PubChem (CID 107889935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).