4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one

C14H27NO — CID 142239634

IUPAC4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
SMILESCC1(CCC(N)C(=O)C(C)(C)C)CCCC1
InChIInChI=1S/C14H27NO/c1-13(2,3)12(16)11(15)7-10-14(4)8-5-6-9-14/h11H,5-10,15H2,1-4H3
InChIKeyBOZBMEDSKJXINC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.29
Rot. Bonds4

About 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one

4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one (PubChem CID 142239634) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
PubChem CID142239634
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
SMILESCC1(CCC(N)C(=O)C(C)(C)C)CCCC1
InChIInChI=1S/C14H27NO/c1-13(2,3)12(16)11(15)7-10-14(4)8-5-6-9-14/h11H,5-10,15H2,1-4H3
InChIKeyBOZBMEDSKJXINC-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
The IUPAC name of 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one (CID 142239634) is 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one.
What is the SMILES notation for 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
The canonical SMILES for 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one is CC1(CCC(N)C(=O)C(C)(C)C)CCCC1.
What is the InChIKey of 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
The InChIKey is BOZBMEDSKJXINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)12(16)11(15)7-10-14(4)8-5-6-9-14/h11H,5-10,15H2,1-4H3.
What are the key properties of 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one has a molecular weight of 225.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one is sourced from PubChem (CID 142239634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).