1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one

C9H17NO2 — CID 116576587

IUPAC1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1(N)CC1
InChIInChI=1S/C9H17NO2/c1-7(3-6-12-2)8(11)9(10)4-5-9/h7H,3-6,10H2,1-2H3
InChIKeyIDHAHLHEPCWGTI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.72
Rot. Bonds5

About 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one

1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one (PubChem CID 116576587) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one
PubChem CID116576587
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1(N)CC1
InChIInChI=1S/C9H17NO2/c1-7(3-6-12-2)8(11)9(10)4-5-9/h7H,3-6,10H2,1-2H3
InChIKeyIDHAHLHEPCWGTI-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one
CID 116579573
1-[1-(aminomethyl)cyclohexyl]-4-methoxy-2-methylbutan-1-one
CID 116600634
1-[4-(aminomethyl)oxan-4-yl]-4-methoxy-2-methylbutan-1-one
CID 116603098
1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one
CID 116578997
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
4-methoxy-2-methyl-1-(3-methylpiperidin-3-yl)butan-1-one
CID 116569421
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
CID 116592684
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one
CID 116749704
2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one (CID 116576587) is 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one is COCCC(C)C(=O)C1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one?
The InChIKey is IDHAHLHEPCWGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(3-6-12-2)8(11)9(10)4-5-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one?
1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 116576587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).