N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide

C12H25N3O2 — CID 113468421

IUPACN-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide
SMILESCOCCN(CCN)C(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O2/c1-17-11-10-15(9-6-13)12(16)14-7-4-2-3-5-8-14/h2-11,13H2,1H3
InChIKeyQPLQRWUWNKPCMU-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds5

About N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide

N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide (PubChem CID 113468421) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide
PubChem CID113468421
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide
SMILESCOCCN(CCN)C(=O)N1CCCCCC1
InChIInChI=1S/C12H25N3O2/c1-17-11-10-15(9-6-13)12(16)14-7-4-2-3-5-8-14/h2-11,13H2,1H3
InChIKeyQPLQRWUWNKPCMU-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 79155269
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-cyclopropyl-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 115589086
N-(2-hydroxyethyl)-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 115608967
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(2-aminoethyl)-2-cycloheptyl-N-(2-methoxyethyl)acetamide
CID 114459191
N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 63287770
methyl 2-[azepane-1-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79152220
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115535207
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide (CID 113468421) is N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide is COCCN(CCN)C(=O)N1CCCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide?
The InChIKey is QPLQRWUWNKPCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-17-11-10-15(9-6-13)12(16)14-7-4-2-3-5-8-14/h2-11,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide?
N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-methoxyethyl)azepane-1-carboxamide is sourced from PubChem (CID 113468421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).