2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide

C13H27N3O2 — CID 54989285

IUPAC2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCCCCC1N
InChIInChI=1S/C13H27N3O2/c1-16(10-13(17)15-8-9-18-2)12-7-5-3-4-6-11(12)14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyMBHYVRFZPOWQRX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds6

About 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 54989285) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID54989285
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCCCCC1N
InChIInChI=1S/C13H27N3O2/c1-16(10-13(17)15-8-9-18-2)12-7-5-3-4-6-11(12)14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyMBHYVRFZPOWQRX-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 79468067
2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide
CID 102639859
2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 102639901
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
2-[acetyl(cyclohexyl)amino]-N-(2-methoxyethyl)acetamide
CID 113159416
N-(2-methoxyethyl)-2-[methyl-(2-oxocyclopentyl)amino]acetamide
CID 62036471
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
2-[2-aminoethyl(cyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 102875295
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122493
2-[(2-aminocyclohexyl)-methylamino]-N-(4-methylphenyl)acetamide
CID 102639899

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 54989285) is 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C1CCCCCC1N.
What is the InChIKey of 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is MBHYVRFZPOWQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-16(10-13(17)15-8-9-18-2)12-7-5-3-4-6-11(12)14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54989285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).