2-amino-1-(3-methylcyclohexyl)ethanone

C9H17NO — CID 116548396

IUPAC2-amino-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)CN)C1
InChIInChI=1S/C9H17NO/c1-7-3-2-4-8(5-7)9(11)6-10/h7-8H,2-6,10H2,1H3
InChIKeyKOYNWKJWQYDKNQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-1-(3-methylcyclohexyl)ethanone

2-amino-1-(3-methylcyclohexyl)ethanone (PubChem CID 116548396) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-amino-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-methylcyclohexyl)ethanone
PubChem CID116548396
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-amino-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)CN)C1
InChIInChI=1S/C9H17NO/c1-7-3-2-4-8(5-7)9(11)6-10/h7-8H,2-6,10H2,1H3
InChIKeyKOYNWKJWQYDKNQ-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylcyclohexyl)ethanone?
The IUPAC name of 2-amino-1-(3-methylcyclohexyl)ethanone (CID 116548396) is 2-amino-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-amino-1-(3-methylcyclohexyl)ethanone is CC1CCCC(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-(3-methylcyclohexyl)ethanone?
The InChIKey is KOYNWKJWQYDKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-3-2-4-8(5-7)9(11)6-10/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-amino-1-(3-methylcyclohexyl)ethanone?
2-amino-1-(3-methylcyclohexyl)ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116548396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).