N-(3-azidopropyl)-3,5,5-trimethylhexanamide

C12H24N4O — CID 61344869

IUPACN-(3-azidopropyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCCN=[N+]=[N-])CC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-10(9-12(2,3)4)8-11(17)14-6-5-7-15-16-13/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyRBUJCAJXMJMYQL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.27
Rot. Bonds7

About N-(3-azidopropyl)-3,5,5-trimethylhexanamide

N-(3-azidopropyl)-3,5,5-trimethylhexanamide (PubChem CID 61344869) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-azidopropyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-3,5,5-trimethylhexanamide
PubChem CID61344869
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(3-azidopropyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCCN=[N+]=[N-])CC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-10(9-12(2,3)4)8-11(17)14-6-5-7-15-16-13/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyRBUJCAJXMJMYQL-UHFFFAOYSA-N
XLogP3.27
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
N-(3-cyanopropyl)-3,5,5-trimethylhexanamide
CID 62666428
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
3,5,5-trimethylhexanehydrazide
CID 142619235
N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
CID 113430451
3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 66001344
3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide
CID 15725826

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(3-azidopropyl)-3,5,5-trimethylhexanamide (CID 61344869) is N-(3-azidopropyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(3-azidopropyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(3-azidopropyl)-3,5,5-trimethylhexanamide is CC(CC(=O)NCCCN=[N+]=[N-])CC(C)(C)C.
What is the InChIKey of N-(3-azidopropyl)-3,5,5-trimethylhexanamide?
The InChIKey is RBUJCAJXMJMYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(9-12(2,3)4)8-11(17)14-6-5-7-15-16-13/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of N-(3-azidopropyl)-3,5,5-trimethylhexanamide?
N-(3-azidopropyl)-3,5,5-trimethylhexanamide has a molecular weight of 240.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 61344869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).