N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide

C9H15N3O — CID 123170351

IUPACN-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide
SMILESCC(=O)NC/C1=N/N=C\CCCC1
InChIInChI=1S/C9H15N3O/c1-8(13)10-7-9-5-3-2-4-6-11-12-9/h6H,2-5,7H2,1H3,(H,10,13)/b11-6-,12-9+
InChIKeyXCUQRODBNMQJIC-PPTLUXDQSA-N
MW181.24 g/mol
LogP1.12
Rot. Bonds2

About N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide

N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide (PubChem CID 123170351) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide
PubChem CID123170351
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide
SMILESCC(=O)NC/C1=N/N=C\CCCC1
InChIInChI=1S/C9H15N3O/c1-8(13)10-7-9-5-3-2-4-6-11-12-9/h6H,2-5,7H2,1H3,(H,10,13)/b11-6-,12-9+
InChIKeyXCUQRODBNMQJIC-PPTLUXDQSA-N
XLogP1.12
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-iminopentyl)acetamide
CID 88941159
N-(2,3,4,5-tetrahydropyridin-6-ylmethyl)acetamide
CID 123358409
ethane;N-(6-iminohexyl)propanamide
CID 142430797
2-diazo-N-heptylacetamide
CID 85132206
2-diazo-N-hexylacetamide
CID 102409960
N-(6-iminohexyl)propanamide
CID 142430798
2-methyl-N-[2-(4H-pyrazol-3-yl)ethyl]propanamide
CID 160213746
N-[7-(pentan-2-ylideneamino)heptyl]acetamide
CID 163611717

Frequently Asked Questions

What is the IUPAC name of N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide (CID 123170351) is N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide is CC(=O)NC/C1=N/N=C\CCCC1.
What is the InChIKey of N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide?
The InChIKey is XCUQRODBNMQJIC-PPTLUXDQSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(13)10-7-9-5-3-2-4-6-11-12-9/h6H,2-5,7H2,1H3,(H,10,13)/b11-6-,12-9+.
What are the key properties of N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide?
N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1Z,2Z)-4,5,6,7-tetrahydrodiazocin-3-yl]methyl]acetamide is sourced from PubChem (CID 123170351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).