tert-butyl N-(9-azidononyl)carbamate

C14H28N4O2 — CID 138393789

IUPACtert-butyl N-(9-azidononyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H28N4O2/c1-14(2,3)20-13(19)16-11-9-7-5-4-6-8-10-12-17-18-15/h4-12H2,1-3H3,(H,16,19)
InChIKeyBBOSBJPEOGMFBY-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.55
Rot. Bonds10

About tert-butyl N-(9-azidononyl)carbamate

tert-butyl N-(9-azidononyl)carbamate (PubChem CID 138393789) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-(9-azidononyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(9-azidononyl)carbamate
PubChem CID138393789
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Nametert-butyl N-(9-azidononyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H28N4O2/c1-14(2,3)20-13(19)16-11-9-7-5-4-6-8-10-12-17-18-15/h4-12H2,1-3H3,(H,16,19)
InChIKeyBBOSBJPEOGMFBY-UHFFFAOYSA-N
XLogP4.55
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tert-butyl N-[(5R)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 168911676
tert-butyl N-[(5S)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 170607029
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
(2S)-2-(5-azidopentanoylamino)-6-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoylamino]hexanoic acid
CID 118615065
(2R)-6-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 71583251
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl 18-(3-azidopropylamino)-18-oxooctadecanoate
CID 121333119
tert-butyl N-(6-oxonon-7-ynyl)carbamate
CID 71375911
tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963
tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 10691494
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl 12-[[1,7-bis(4-azidobutylamino)-4-[3-(4-azidobutylamino)-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-12-oxododecanoate
CID 166068916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(9-azidononyl)carbamate?
The IUPAC name of tert-butyl N-(9-azidononyl)carbamate (CID 138393789) is tert-butyl N-(9-azidononyl)carbamate.
What is the SMILES notation for tert-butyl N-(9-azidononyl)carbamate?
The canonical SMILES for tert-butyl N-(9-azidononyl)carbamate is CC(C)(C)OC(=O)NCCCCCCCCCN=[N+]=[N-].
What is the InChIKey of tert-butyl N-(9-azidononyl)carbamate?
The InChIKey is BBOSBJPEOGMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-14(2,3)20-13(19)16-11-9-7-5-4-6-8-10-12-17-18-15/h4-12H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-(9-azidononyl)carbamate?
tert-butyl N-(9-azidononyl)carbamate has a molecular weight of 284.40 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(9-azidononyl)carbamate is sourced from PubChem (CID 138393789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).