tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate

C15H28N2O2 — CID 107237375

IUPACtert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C15H28N2O2/c1-13(2,3)19-12(18)17-16-11-14(4,5)10-7-8-15(11,6)9-10/h10-11,16H,7-9H2,1-6H3,(H,17,18)/t10-,11?,15+/m0/s1
InChIKeyKWMAYBLSFDPVJE-ZYTVVRLJSA-N
MW268.40 g/mol
LogP3.23
Rot. Bonds2

About tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate

tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate (PubChem CID 107237375) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate
PubChem CID107237375
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C15H28N2O2/c1-13(2,3)19-12(18)17-16-11-14(4,5)10-7-8-15(11,6)9-10/h10-11,16H,7-9H2,1-6H3,(H,17,18)/t10-,11?,15+/m0/s1
InChIKeyKWMAYBLSFDPVJE-ZYTVVRLJSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.23
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-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
CID 107245182
N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 115400176
3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 64676714
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
methyl 2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 115400720
tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252
(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945320
2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 115400209

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate (CID 107237375) is tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate is CC(C)(C)OC(=O)NNC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate?
The InChIKey is KWMAYBLSFDPVJE-ZYTVVRLJSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2,3)19-12(18)17-16-11-14(4,5)10-7-8-15(11,6)9-10/h10-11,16H,7-9H2,1-6H3,(H,17,18)/t10-,11?,15+/m0/s1.
What are the key properties of tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate?
tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate has a molecular weight of 268.40 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate is sourced from PubChem (CID 107237375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).