1-(1-aminocyclohexyl)-6-methylheptan-2-one

C14H27NO — CID 116579027

IUPAC1-(1-aminocyclohexyl)-6-methylheptan-2-one
SMILESCC(C)CCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(16)11-14(15)9-4-3-5-10-14/h12H,3-11,15H2,1-2H3
InChIKeyJXTWVNQWXVHGMK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.43
Rot. Bonds6

About 1-(1-aminocyclohexyl)-6-methylheptan-2-one

1-(1-aminocyclohexyl)-6-methylheptan-2-one (PubChem CID 116579027) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-6-methylheptan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-6-methylheptan-2-one
PubChem CID116579027
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-aminocyclohexyl)-6-methylheptan-2-one
SMILESCC(C)CCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(16)11-14(15)9-4-3-5-10-14/h12H,3-11,15H2,1-2H3
InChIKeyJXTWVNQWXVHGMK-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclopentyl)-6-methylheptan-2-one
CID 116578739
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935
1-(1-aminocyclohexyl)hept-6-en-2-one
CID 116579053
2-(1-aminocyclopentyl)-N-(5-methylhexyl)acetamide
CID 113287459
2-(1-aminocyclopentyl)-N-(7-methyloctyl)acetamide
CID 64677183
1-(1-hydroxycyclohexyl)-5-methylhexan-1-one
CID 103449709
1-(1-aminocyclohexyl)non-8-en-2-one
CID 107010892
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
2-(1-aminocyclobutyl)-N-(7-methyloctyl)acetamide
CID 79854287
1-(1-aminocyclopropyl)-4-methylpentan-2-one
CID 131228317
2-(1-aminocyclopentyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 64686086

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-6-methylheptan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-6-methylheptan-2-one (CID 116579027) is 1-(1-aminocyclohexyl)-6-methylheptan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-6-methylheptan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-6-methylheptan-2-one is CC(C)CCCC(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-6-methylheptan-2-one?
The InChIKey is JXTWVNQWXVHGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)7-6-8-13(16)11-14(15)9-4-3-5-10-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-(1-aminocyclohexyl)-6-methylheptan-2-one?
1-(1-aminocyclohexyl)-6-methylheptan-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-6-methylheptan-2-one is sourced from PubChem (CID 116579027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).