azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine

C13H32N12O — CID 159039098

IUPACazidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine
SMILESCC(=O)NCCCN=[N+]=[N-].CCCCN.CN=[N+]=[N-].[N-]=[N+]=NCCCN
InChIInChI=1S/C5H10N4O.C4H11N.C3H8N4.CH3N3/c1-5(10)7-3-2-4-8-9-6;1-2-3-4-5;4-2-1-3-6-7-5;1-3-4-2/h2-4H2,1H3,(H,7,10);2-5H2,1H3;1-4H2;1H3
InChIKeyJVVFHMBXQAVFHZ-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.14
Rot. Bonds9

About azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine

azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine (PubChem CID 159039098) has the molecular formula C13H32N12O and a molecular weight of 372.48 g/mol. Its IUPAC name is azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine.

Molecular Properties

Compound Nameazidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine
PubChem CID159039098
Molecular FormulaC13H32N12O
Molecular Weight372.48 g/mol
Exact Mass372.28
IUPAC Nameazidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine
SMILESCC(=O)NCCCN=[N+]=[N-].CCCCN.CN=[N+]=[N-].[N-]=[N+]=NCCCN
InChIInChI=1S/C5H10N4O.C4H11N.C3H8N4.CH3N3/c1-5(10)7-3-2-4-8-9-6;1-2-3-4-5;4-2-1-3-6-7-5;1-3-4-2/h2-4H2,1H3,(H,7,10);2-5H2,1H3;1-4H2;1H3
InChIKeyJVVFHMBXQAVFHZ-UHFFFAOYSA-N
XLogP3.14
TPSA227.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

11-acetamidoundecanoic acid;butan-1-amine
CID 171093396
N-(4-azidobutyl)hexanamide
CID 106386708
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N-(4-azidobutyl)heptanamide
CID 106386394
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
N-butylacetamide;molecular hydrogen
CID 142252069
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452

Frequently Asked Questions

What is the IUPAC name of azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?
The IUPAC name of azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine (CID 159039098) is azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine.
What is the SMILES notation for azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?
The canonical SMILES for azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine is CC(=O)NCCCN=[N+]=[N-].CCCCN.CN=[N+]=[N-].[N-]=[N+]=NCCCN.
What is the InChIKey of azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?
The InChIKey is JVVFHMBXQAVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.C4H11N.C3H8N4.CH3N3/c1-5(10)7-3-2-4-8-9-6;1-2-3-4-5;4-2-1-3-6-7-5;1-3-4-2/h2-4H2,1H3,(H,7,10);2-5H2,1H3;1-4H2;1H3.
What are the key properties of azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine?
azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine has a molecular weight of 372.48 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethane;3-azidopropan-1-amine;N-(3-azidopropyl)acetamide;butan-1-amine is sourced from PubChem (CID 159039098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).