3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide

C17H32N4O2 — CID 54493889

IUPAC3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide
SMILES[H]/N=C(\C)CC(=O)NCC(C)CCC(C)(C)CNC(=O)C/C(C)=N/[H]
InChIInChI=1S/C17H32N4O2/c1-12(10-20-15(22)8-13(2)18)6-7-17(4,5)11-21-16(23)9-14(3)19/h12,18-19H,6-11H2,1-5H3,(H,20,22)(H,21,23)/b18-13+,19-14+
InChIKeyXXRYAIIJZWAMIO-JIBZRZDWSA-N
MW324.47 g/mol
LogP2.52
Rot. Bonds11

About 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide

3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide (PubChem CID 54493889) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide.

Molecular Properties

Compound Name3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide
PubChem CID54493889
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide
SMILES[H]/N=C(\C)CC(=O)NCC(C)CCC(C)(C)CNC(=O)C/C(C)=N/[H]
InChIInChI=1S/C17H32N4O2/c1-12(10-20-15(22)8-13(2)18)6-7-17(4,5)11-21-16(23)9-14(3)19/h12,18-19H,6-11H2,1-5H3,(H,20,22)(H,21,23)/b18-13+,19-14+
InChIKeyXXRYAIIJZWAMIO-JIBZRZDWSA-N
XLogP2.52
TPSA105.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide with MolForge

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Related Compounds

3-imino-N-[12-(3-iminobutanoylamino)dodecyl]butanamide
CID 53667922
3-imino-N-[6-(3-iminobutanoylamino)hexyl]butanamide
CID 53943234
3-imino-N-[6-(3-iminobutanoylamino)-3,3,5-trimethylhexyl]butanamide
CID 54089084
N-butyl-3-[6-[[4-(butylamino)-4-oxobutan-2-ylidene]amino]hexylimino]butanamide
CID 54264997
N-[6-(butanoylamino)-3,5,5-trimethylhexyl]butanamide
CID 87551370
2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide
CID 88562589
2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide
CID 88566178
N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide
CID 88990192
2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
CID 89255064
N-[2-[[3-(2-aminoethylamino)-3-methylbutyl]amino]-2-methylpropyl]-4-imino-5-methylhexanamide
CID 90699694
3-[3-[bis[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]amino]propyl-[3-(2,2,4,4-tetramethylpentylimino)butyl]amino]-N-(2,2,4,4-tetramethylhexyl)propanamide
CID 91086867
2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
CID 126517018

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide?
The IUPAC name of 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide (CID 54493889) is 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide.
What is the SMILES notation for 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide?
The canonical SMILES for 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide is [H]/N=C(\C)CC(=O)NCC(C)CCC(C)(C)CNC(=O)C/C(C)=N/[H].
What is the InChIKey of 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide?
The InChIKey is XXRYAIIJZWAMIO-JIBZRZDWSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-12(10-20-15(22)8-13(2)18)6-7-17(4,5)11-21-16(23)9-14(3)19/h12,18-19H,6-11H2,1-5H3,(H,20,22)(H,21,23)/b18-13+,19-14+.
What are the key properties of 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide?
3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide has a molecular weight of 324.47 g/mol, XLogP of 2.52, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-[6-(3-iminobutanoylamino)-2,5,5-trimethylhexyl]butanamide is sourced from PubChem (CID 54493889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).