tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate

C15H29N3O2 — CID 107093592

IUPACtert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
SMILESCN1C2CCC1CC(NCCNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-8-7-16-11-9-12-5-6-13(10-11)18(12)4/h11-13,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyOVCVDXDVIUJSPS-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.73
Rot. Bonds4

About tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate (PubChem CID 107093592) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
PubChem CID107093592
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
SMILESCN1C2CCC1CC(NCCNC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-8-7-16-11-9-12-5-6-13(10-11)18(12)4/h11-13,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyOVCVDXDVIUJSPS-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
CID 141409731
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
CID 123710805
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
CID 130649334
tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate (CID 107093592) is tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate is CN1C2CCC1CC(NCCNC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate?
The InChIKey is OVCVDXDVIUJSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-8-7-16-11-9-12-5-6-13(10-11)18(12)4/h11-13,16H,5-10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate has a molecular weight of 283.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate is sourced from PubChem (CID 107093592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).