tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate

C18H34N2O2 — CID 139428642

IUPACtert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate
SMILESCC1CC2CC(C)CC(NCCNC(=O)OC(C)(C)C)(C1)C2
InChIInChI=1S/C18H34N2O2/c1-13-8-15-9-14(2)11-18(10-13,12-15)20-7-6-19-16(21)22-17(3,4)5/h13-15,20H,6-12H2,1-5H3,(H,19,21)
InChIKeyGIKWVUIFCRFURB-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.71
Rot. Bonds4

About tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate

tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate (PubChem CID 139428642) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate
PubChem CID139428642
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate
SMILESCC1CC2CC(C)CC(NCCNC(=O)OC(C)(C)C)(C1)C2
InChIInChI=1S/C18H34N2O2/c1-13-8-15-9-14(2)11-18(10-13,12-15)20-7-6-19-16(21)22-17(3,4)5/h13-15,20H,6-12H2,1-5H3,(H,19,21)
InChIKeyGIKWVUIFCRFURB-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate (CID 139428642) is tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate is CC1CC2CC(C)CC(NCCNC(=O)OC(C)(C)C)(C1)C2.
What is the InChIKey of tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate?
The InChIKey is GIKWVUIFCRFURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13-8-15-9-14(2)11-18(10-13,12-15)20-7-6-19-16(21)22-17(3,4)5/h13-15,20H,6-12H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.71, 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-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)amino]ethyl]carbamate is sourced from PubChem (CID 139428642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).