tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate

C17H32N2O2 — CID 84815710

IUPACtert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC1C1CCCCCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-12-14-10-11-18-15(14)13-8-6-4-5-7-9-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyGNIKKTXHIPOIQB-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.46
Rot. Bonds3

About tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate

tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 84815710) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate
PubChem CID84815710
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC1C1CCCCCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-12-14-10-11-18-15(14)13-8-6-4-5-7-9-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyGNIKKTXHIPOIQB-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
CID 84804757
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
CID 84812476
tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
CID 84805368
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
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tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
CID 84815325
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate (CID 84815710) is tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCNC1C1CCCCCC1.
What is the InChIKey of tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is GNIKKTXHIPOIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-12-14-10-11-18-15(14)13-8-6-4-5-7-9-13/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate?
tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-cycloheptylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 84815710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).