tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate

C15H28N2O2 — CID 103390066

IUPACtert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CC2CCC1C2
InChIInChI=1S/C15H28N2O2/c1-10(9-16-14(18)19-15(2,3)4)17-13-8-11-5-6-12(13)7-11/h10-13,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyJWVRDMKAODDIFU-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate

tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate (PubChem CID 103390066) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
PubChem CID103390066
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CC2CCC1C2
InChIInChI=1S/C15H28N2O2/c1-10(9-16-14(18)19-15(2,3)4)17-13-8-11-5-6-12(13)7-11/h10-13,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyJWVRDMKAODDIFU-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248380
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate
CID 103894982
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
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tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
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tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
CID 165470885
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate (CID 103390066) is tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1CC2CCC1C2.
What is the InChIKey of tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate?
The InChIKey is JWVRDMKAODDIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(9-16-14(18)19-15(2,3)4)17-13-8-11-5-6-12(13)7-11/h10-13,17H,5-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate?
tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate has a molecular weight of 268.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate is sourced from PubChem (CID 103390066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).