methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate

C12H24N2O2 — CID 65235247

IUPACmethyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate
SMILESCCNC1(CC(=O)OC)CCCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-12(10-11(15)16-3)6-5-8-14(2)9-7-12/h13H,4-10H2,1-3H3
InChIKeySDVOWFKURGZQHV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate

methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate (PubChem CID 65235247) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate
PubChem CID65235247
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate
SMILESCCNC1(CC(=O)OC)CCCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-12(10-11(15)16-3)6-5-8-14(2)9-7-12/h13H,4-10H2,1-3H3
InChIKeySDVOWFKURGZQHV-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(ethylamino)-3-(2-methylpropyl)cyclohexyl]acetate
CID 107430508
methyl 2-[1-(2-methylpropyl)-4-(propylamino)piperidin-4-yl]acetate
CID 114079466
methyl 2-(3-amino-1-methylazepan-3-yl)acetate
CID 83908328
tert-butyl N-[4-(hydroxymethyl)-1-methylazepan-4-yl]carbamate
CID 84806018
methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511201
1-(4-amino-1-methylazepan-4-yl)propan-2-one
CID 115016769
methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate
CID 115924214
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937
2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
CID 65236604
3-(ethylamino)-1-methylpiperidin-3-ol
CID 70384279
1-methyl-4-(2-oxopropyl)azepane-4-carboxylic acid
CID 115028358
methyl 1-methyl-4-(prop-2-enylamino)azepane-4-carboxylate
CID 65075483

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate?
The IUPAC name of methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate (CID 65235247) is methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate.
What is the SMILES notation for methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate?
The canonical SMILES for methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate is CCNC1(CC(=O)OC)CCCN(C)CC1.
What is the InChIKey of methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate?
The InChIKey is SDVOWFKURGZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13-12(10-11(15)16-3)6-5-8-14(2)9-7-12/h13H,4-10H2,1-3H3.
What are the key properties of methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate?
methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethylamino)-1-methylazepan-4-yl]acetate is sourced from PubChem (CID 65235247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).