tert-butyl N-(1-adamantylamino)carbamate

C15H26N2O2 — CID 57256539

IUPACtert-butyl N-(1-adamantylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)16-17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyBHMJTLVZLUJFDX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl N-(1-adamantylamino)carbamate

tert-butyl N-(1-adamantylamino)carbamate (PubChem CID 57256539) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl N-(1-adamantylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-adamantylamino)carbamate
PubChem CID57256539
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl N-(1-adamantylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)16-17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyBHMJTLVZLUJFDX-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-hydroxy-1-adamantyl)carbamate
CID 59134555
N'-(1-adamantyl)acetohydrazide
CID 57252172
(2S)-2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11738405
methyl 2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 171922242
tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate
CID 139428642
tert-butyl N-[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84557446
1-[(2-methylpropan-2-yl)oxycarbonylamino]tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
CID 67300348
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]bicyclo[2.2.2]octane-1-carboxylate
CID 118342965
(2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11267340
tert-butyl N-[(2S)-1-[adamantane-1-carbonyl(methyl)amino]propan-2-yl]carbamate
CID 110315298
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8947692
tert-butyl N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]carbamate
CID 60609789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-adamantylamino)carbamate?
The IUPAC name of tert-butyl N-(1-adamantylamino)carbamate (CID 57256539) is tert-butyl N-(1-adamantylamino)carbamate.
What is the SMILES notation for tert-butyl N-(1-adamantylamino)carbamate?
The canonical SMILES for tert-butyl N-(1-adamantylamino)carbamate is CC(C)(C)OC(=O)NNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of tert-butyl N-(1-adamantylamino)carbamate?
The InChIKey is BHMJTLVZLUJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)16-17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12,17H,4-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(1-adamantylamino)carbamate?
tert-butyl N-(1-adamantylamino)carbamate has a molecular weight of 266.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-adamantylamino)carbamate is sourced from PubChem (CID 57256539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).