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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Launch Full Analysis

Related Compounds

6-Ethyl-7-propan-2-yl-1,4-oxazepan-5-one
CID 134377347
Ethane;1-formylazepane-4-carboxamide;2-methoxypropane
CID 143603391
6,7-Di(propan-2-yl)-1,4-oxazepan-5-one
CID 166897887
1-(2-Methyl-1,4-oxazepan-4-yl)-2-piperidin-3-ylethanone
CID 62972729
(2-Methyl-1,4-oxazepan-4-yl)-piperidin-4-ylmethanone
CID 62974354
1-(4-Methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
1-(4-Amino-3-ethoxybutyl)-5-ethylazepan-2-one
CID 64342169
6-Amino-4-ethyl-1-(2-methyl-1,4-oxazepan-4-yl)hexan-1-one
CID 64342524
1-(3-Amino-2-ethoxypropyl)-5-ethylazepan-2-one
CID 64342556
1-(4-Amino-3-ethoxybutyl)-5-propylazepan-2-one
CID 64342586
6-Amino-4-ethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 64342718
4-(2-Aminoethyl)-1-(2-methyl-1,4-oxazepan-4-yl)heptan-1-one
CID 64345433

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).