1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one

C13H25NO2 — CID 116578997

IUPAC1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one
SMILESCOCCC(C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(6-9-16-2)12(15)10-13(14)7-4-3-5-8-13/h11H,3-10,14H2,1-2H3
InChIKeyIBRVMHPOMNAMNC-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.28
Rot. Bonds6

About 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one

1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one (PubChem CID 116578997) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one
PubChem CID116578997
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one
SMILESCOCCC(C)C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(6-9-16-2)12(15)10-13(14)7-4-3-5-8-13/h11H,3-10,14H2,1-2H3
InChIKeyIBRVMHPOMNAMNC-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-4-methoxy-2-methylbutan-1-one
CID 116600634
1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one
CID 116576587
2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxypentanoic acid
CID 81078638
2-(1-aminocyclohexyl)-N-(1-methoxypentan-2-yl)acetamide
CID 64677686
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-(1-aminocyclopentyl)-N-methyl-N-propan-2-ylacetamide
CID 64684739
1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one
CID 116579573
2-(1-aminocyclopentyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 64679664
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
2-(1-aminocyclopentyl)-N-(1-methoxybutan-2-yl)acetamide
CID 64677485

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one (CID 116578997) is 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one is COCCC(C)C(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one?
The InChIKey is IBRVMHPOMNAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(6-9-16-2)12(15)10-13(14)7-4-3-5-8-13/h11H,3-10,14H2,1-2H3.
What are the key properties of 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one?
1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one is sourced from PubChem (CID 116578997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).