6-azido-N-propan-2-ylhexanamide

C9H18N4O — CID 151413918

IUPAC6-azido-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)CCCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-8(2)12-9(14)6-4-3-5-7-11-13-10/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyOZCFYYYIOITJNE-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.38
Rot. Bonds7

About 6-azido-N-propan-2-ylhexanamide

6-azido-N-propan-2-ylhexanamide (PubChem CID 151413918) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-azido-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-azido-N-propan-2-ylhexanamide
PubChem CID151413918
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name6-azido-N-propan-2-ylhexanamide
SMILESCC(C)NC(=O)CCCCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-8(2)12-9(14)6-4-3-5-7-11-13-10/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyOZCFYYYIOITJNE-UHFFFAOYSA-N
XLogP2.38
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.38
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,N'-di(propan-2-yl)decanediamide
CID 58997511
6-azido-N-methylhexanamide
CID 130188396
(2S)-2-(4-azidobutanoylamino)propanoic acid
CID 168749789
1-(4-azidobutyl)-3-propan-2-ylurea
CID 106386969
(2S)-2-(4-azidobutanoylamino)-N-[6-[[(2S)-2-(4-azidobutanoylamino)-3-methylbutanoyl]amino]hexyl]-3-methylbutanamide
CID 132577374
methyl 12-azido-3-oxododecanoate
CID 166511245
16-azidohexadecan-2-one
CID 56624829
4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide
CID 59248185
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide
CID 86614265
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
N-(4-azidobutyl)heptanamide
CID 106386394

Frequently Asked Questions

What is the IUPAC name of 6-azido-N-propan-2-ylhexanamide?
The IUPAC name of 6-azido-N-propan-2-ylhexanamide (CID 151413918) is 6-azido-N-propan-2-ylhexanamide.
What is the SMILES notation for 6-azido-N-propan-2-ylhexanamide?
The canonical SMILES for 6-azido-N-propan-2-ylhexanamide is CC(C)NC(=O)CCCCCN=[N+]=[N-].
What is the InChIKey of 6-azido-N-propan-2-ylhexanamide?
The InChIKey is OZCFYYYIOITJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8(2)12-9(14)6-4-3-5-7-11-13-10/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 6-azido-N-propan-2-ylhexanamide?
6-azido-N-propan-2-ylhexanamide has a molecular weight of 198.27 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-propan-2-ylhexanamide is sourced from PubChem (CID 151413918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).