4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one

C12H24N2O2 — CID 103155888

IUPAC4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-3-6-14(7-5-10)12(15)8-11(9-13)16-2/h10-11H,3-9,13H2,1-2H3
InChIKeyYNKHCHUIYSLTCC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one

4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one (PubChem CID 103155888) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
PubChem CID103155888
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-3-6-14(7-5-10)12(15)8-11(9-13)16-2/h10-11H,3-9,13H2,1-2H3
InChIKeyYNKHCHUIYSLTCC-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
CID 120594917
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
CID 103155078
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591034

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one (CID 103155888) is 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one is COC(CN)CC(=O)N1CCCC(C)CC1.
What is the InChIKey of 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one?
The InChIKey is YNKHCHUIYSLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-4-3-6-14(7-5-10)12(15)8-11(9-13)16-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one?
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one is sourced from PubChem (CID 103155888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).