4-amino-6-cyclopentyl-6-methylheptan-3-one

C13H25NO — CID 142123412

IUPAC4-amino-6-cyclopentyl-6-methylheptan-3-one
SMILESCCC(=O)C(N)CC(C)(C)C1CCCC1
InChIInChI=1S/C13H25NO/c1-4-12(15)11(14)9-13(2,3)10-7-5-6-8-10/h10-11H,4-9,14H2,1-3H3
InChIKeyWLVYKTNECTZWBJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-6-cyclopentyl-6-methylheptan-3-one

4-amino-6-cyclopentyl-6-methylheptan-3-one (PubChem CID 142123412) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-amino-6-cyclopentyl-6-methylheptan-3-one.

Molecular Properties

Compound Name4-amino-6-cyclopentyl-6-methylheptan-3-one
PubChem CID142123412
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-amino-6-cyclopentyl-6-methylheptan-3-one
SMILESCCC(=O)C(N)CC(C)(C)C1CCCC1
InChIInChI=1S/C13H25NO/c1-4-12(15)11(14)9-13(2,3)10-7-5-6-8-10/h10-11H,4-9,14H2,1-3H3
InChIKeyWLVYKTNECTZWBJ-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-cyclopentyl-6-methylheptan-3-one?
The IUPAC name of 4-amino-6-cyclopentyl-6-methylheptan-3-one (CID 142123412) is 4-amino-6-cyclopentyl-6-methylheptan-3-one.
What is the SMILES notation for 4-amino-6-cyclopentyl-6-methylheptan-3-one?
The canonical SMILES for 4-amino-6-cyclopentyl-6-methylheptan-3-one is CCC(=O)C(N)CC(C)(C)C1CCCC1.
What is the InChIKey of 4-amino-6-cyclopentyl-6-methylheptan-3-one?
The InChIKey is WLVYKTNECTZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12(15)11(14)9-13(2,3)10-7-5-6-8-10/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-6-cyclopentyl-6-methylheptan-3-one?
4-amino-6-cyclopentyl-6-methylheptan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclopentyl-6-methylheptan-3-one is sourced from PubChem (CID 142123412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).