N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide

C11H18N2O — CID 91522023

IUPACN-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide
SMILESCC(=O)NCC/C1=C/N=C\CCCC1
InChIInChI=1S/C11H18N2O/c1-10(14)13-8-6-11-5-3-2-4-7-12-9-11/h7,9H,2-6,8H2,1H3,(H,13,14)/b11-9+,12-7-
InChIKeyGQVJRXLJVXHSLD-WEYIAPCQSA-N
MW194.28 g/mol
LogP2.04
Rot. Bonds3

About N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide

N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide (PubChem CID 91522023) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide
PubChem CID91522023
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide
SMILESCC(=O)NCC/C1=C/N=C\CCCC1
InChIInChI=1S/C11H18N2O/c1-10(14)13-8-6-11-5-3-2-4-7-12-9-11/h7,9H,2-6,8H2,1H3,(H,13,14)/b11-9+,12-7-
InChIKeyGQVJRXLJVXHSLD-WEYIAPCQSA-N
XLogP2.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
CID 90940234
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
CID 123749557
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide (CID 91522023) is N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide is CC(=O)NCC/C1=C/N=C\CCCC1.
What is the InChIKey of N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide?
The InChIKey is GQVJRXLJVXHSLD-WEYIAPCQSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(14)13-8-6-11-5-3-2-4-7-12-9-11/h7,9H,2-6,8H2,1H3,(H,13,14)/b11-9+,12-7-.
What are the key properties of N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide?
N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide has a molecular weight of 194.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide is sourced from PubChem (CID 91522023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).