N-(4-azidobutyl)-2-methylpentanamide

C10H20N4O — CID 106386395

IUPACN-(4-azidobutyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O/c1-3-6-9(2)10(15)12-7-4-5-8-13-14-11/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyWAPMMMOFJUVQRW-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.63
Rot. Bonds8

About N-(4-azidobutyl)-2-methylpentanamide

N-(4-azidobutyl)-2-methylpentanamide (PubChem CID 106386395) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(4-azidobutyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-2-methylpentanamide
PubChem CID106386395
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(4-azidobutyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O/c1-3-6-9(2)10(15)12-7-4-5-8-13-14-11/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyWAPMMMOFJUVQRW-UHFFFAOYSA-N
XLogP2.63
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.63
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)-2-ethylhexanamide
CID 106386552
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
N-(2-azidoethyl)-2-methylbutanamide
CID 61343601
1-(4-azidobutyl)-3-propan-2-ylurea
CID 106386969
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
N-(4-azidobutyl)hexanamide
CID 106386708
N-(4-azidobutyl)heptanamide
CID 106386394
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
2-(2-azidoethylamino)pentanoic acid
CID 66191397
2-methyl-N-nonyldecanamide
CID 141429494
N-[(2S)-3-azido-1-(hexylamino)-1-oxopropan-2-yl]heptanamide
CID 167356814

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-2-methylpentanamide?
The IUPAC name of N-(4-azidobutyl)-2-methylpentanamide (CID 106386395) is N-(4-azidobutyl)-2-methylpentanamide.
What is the SMILES notation for N-(4-azidobutyl)-2-methylpentanamide?
The canonical SMILES for N-(4-azidobutyl)-2-methylpentanamide is CCCC(C)C(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)-2-methylpentanamide?
The InChIKey is WAPMMMOFJUVQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-6-9(2)10(15)12-7-4-5-8-13-14-11/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-(4-azidobutyl)-2-methylpentanamide?
N-(4-azidobutyl)-2-methylpentanamide has a molecular weight of 212.30 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-2-methylpentanamide is sourced from PubChem (CID 106386395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).