tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate

C13H27N5O2 — CID 166868802

IUPACtert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate
SMILESCCC(CCN(C)CCNC(=O)OC(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C13H27N5O2/c1-6-11(16-17-14)7-9-18(5)10-8-15-12(19)20-13(2,3)4/h11H,6-10H2,1-5H3,(H,15,19)
InChIKeyNUIXOTNGWCBPCV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.92
Rot. Bonds8

About tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate

tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate (PubChem CID 166868802) has the molecular formula C13H27N5O2 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate
PubChem CID166868802
Molecular FormulaC13H27N5O2
Molecular Weight285.39 g/mol
Exact Mass285.22
IUPAC Nametert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate
SMILESCCC(CCN(C)CCNC(=O)OC(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C13H27N5O2/c1-6-11(16-17-14)7-9-18(5)10-8-15-12(19)20-13(2,3)4/h11H,6-10H2,1-5H3,(H,15,19)
InChIKeyNUIXOTNGWCBPCV-UHFFFAOYSA-N
XLogP2.92
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

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CID 58080290
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
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tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
2-[3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoyloxy]ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 168851314
tert-butyl N-(2-azidopropyl)carbamate
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tert-butyl N-(5-azidopentan-2-yl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 10691494
tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
CID 166846114
tert-butyl N-[(5S)-5-azido-7-bromo-6-oxoheptyl]carbamate
CID 90162825
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate
CID 166979736
4-azido-N-(2-prop-2-ynoxyethyl)hexanamide
CID 91332449
tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate (CID 166868802) is tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate is CCC(CCN(C)CCNC(=O)OC(C)(C)C)N=[N+]=[N-].
What is the InChIKey of tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate?
The InChIKey is NUIXOTNGWCBPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2/c1-6-11(16-17-14)7-9-18(5)10-8-15-12(19)20-13(2,3)4/h11H,6-10H2,1-5H3,(H,15,19).
What are the key properties of tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate?
tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate is sourced from PubChem (CID 166868802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).