N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide

C10H19N3O — CID 79508122

IUPACN-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1=NCCCCC1
InChIInChI=1S/C10H19N3O/c1-9(14)11-7-8-13-10-5-3-2-4-6-12-10/h2-8H2,1H3,(H,11,14)(H,12,13)
InChIKeyZJMGKOZFOQEBAA-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.68
Rot. Bonds3

About N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide

N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide (PubChem CID 79508122) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide
PubChem CID79508122
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1=NCCCCC1
InChIInChI=1S/C10H19N3O/c1-9(14)11-7-8-13-10-5-3-2-4-6-12-10/h2-8H2,1H3,(H,11,14)(H,12,13)
InChIKeyZJMGKOZFOQEBAA-UHFFFAOYSA-N
XLogP0.68
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide
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3-(4,5-dihydro-1H-imidazol-2-yl)-N-heptylpropanamide
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3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide (CID 79508122) is N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide is CC(=O)NCCNC1=NCCCCC1.
What is the InChIKey of N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide?
The InChIKey is ZJMGKOZFOQEBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(14)11-7-8-13-10-5-3-2-4-6-12-10/h2-8H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide?
N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide has a molecular weight of 197.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethyl]acetamide is sourced from PubChem (CID 79508122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).