tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate

C18H34N2O2 — CID 106636324

IUPACtert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CNC1CCCCCCC1
InChIInChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-9-12-16(20)14-19-15-10-7-5-4-6-8-11-15/h15-16,19H,4-14H2,1-3H3
InChIKeyFTFAYAAMXVTJNW-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate (PubChem CID 106636324) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
PubChem CID106636324
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CNC1CCCCCCC1
InChIInChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-9-12-16(20)14-19-15-10-7-5-4-6-8-11-15/h15-16,19H,4-14H2,1-3H3
InChIKeyFTFAYAAMXVTJNW-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107248940
tert-butyl 2-[[(4,4-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106633982
tert-butyl 2-[[(4-ethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638143
tert-butyl 2-[[(1,1-dioxothian-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106636999
tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
tert-butyl 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103748317
tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106634012
tert-butyl 2-[[(3,3-dimethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639036
tert-butyl 2-[[(3-methoxycarbonylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 112753639
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[[(3,3-dimethylcyclopentyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639509

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate (CID 106636324) is tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1CNC1CCCCCCC1.
What is the InChIKey of tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate?
The InChIKey is FTFAYAAMXVTJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-9-12-16(20)14-19-15-10-7-5-4-6-8-11-15/h15-16,19H,4-14H2,1-3H3.
What are the key properties of tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 106636324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).