3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one

C14H27NO — CID 116606386

IUPAC3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one
SMILESCC1CC(C)CC(C(=O)CC(N)C(C)C)C1
InChIInChI=1S/C14H27NO/c1-9(2)13(15)8-14(16)12-6-10(3)5-11(4)7-12/h9-13H,5-8,15H2,1-4H3
InChIKeyFNAYUNZVRVCZJC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.00
Rot. Bonds4

About 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one

3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one (PubChem CID 116606386) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one
PubChem CID116606386
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one
SMILESCC1CC(C)CC(C(=O)CC(N)C(C)C)C1
InChIInChI=1S/C14H27NO/c1-9(2)13(15)8-14(16)12-6-10(3)5-11(4)7-12/h9-13H,5-8,15H2,1-4H3
InChIKeyFNAYUNZVRVCZJC-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one?
The IUPAC name of 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one (CID 116606386) is 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one.
What is the SMILES notation for 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one?
The canonical SMILES for 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one is CC1CC(C)CC(C(=O)CC(N)C(C)C)C1.
What is the InChIKey of 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one?
The InChIKey is FNAYUNZVRVCZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-9(2)13(15)8-14(16)12-6-10(3)5-11(4)7-12/h9-13H,5-8,15H2,1-4H3.
What are the key properties of 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one?
3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one is sourced from PubChem (CID 116606386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).