tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate

C17H34N2O3 — CID 103695828

IUPACtert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate
SMILESCOCC(NC1CCCC1CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O3/c1-12(2)15(11-21-6)19-14-9-7-8-13(14)10-18-16(20)22-17(3,4)5/h12-15,19H,7-11H2,1-6H3,(H,18,20)
InChIKeyIGTBKZQPPKIYKD-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.94
Rot. Bonds7

About tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate (PubChem CID 103695828) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate
PubChem CID103695828
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate
SMILESCOCC(NC1CCCC1CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O3/c1-12(2)15(11-21-6)19-14-9-7-8-13(14)10-18-16(20)22-17(3,4)5/h12-15,19H,7-11H2,1-6H3,(H,18,20)
InChIKeyIGTBKZQPPKIYKD-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-aminocyclopentyl)methyl]carbamate
CID 50986497
rac-tert-butyl N-{[(1R,2R)-2-aminocyclopentyl]methyl}carbamate
CID 52421373
tert-butyl N-(2-(aminomethyl)cyclopentyl)carbamate
CID 53486461
tert-butyl (((1R,2R)-2-aminocyclopentyl)methyl)carbamate
CID 52421379
tert-butyl ((1R,2R)-2-(aminomethyl)cyclopentyl)carbamate
CID 94866036
tert-butyl N-{[(1S,2R)-2-aminocyclopentyl]methyl}carbamate
CID 52421377
tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 84589299
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103082598
tert-butyl N-[[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103695799
tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate
CID 66596586
tert-Butyl ((1S,2R)-2-(aminomethyl)cyclopentyl)carbamate
CID 72942848
[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate
CID 88871213

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate (CID 103695828) is tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate is COCC(NC1CCCC1CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is IGTBKZQPPKIYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-12(2)15(11-21-6)19-14-9-7-8-13(14)10-18-16(20)22-17(3,4)5/h12-15,19H,7-11H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).