tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate

C18H35N3O2 — CID 105415924

IUPACtert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate
SMILESCN(C)C1(CNC2CCCC2CNC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C18H35N3O2/c1-17(2,3)23-16(22)19-12-14-8-6-9-15(14)20-13-18(21(4)5)10-7-11-18/h14-15,20H,6-13H2,1-5H3,(H,19,22)
InChIKeyBOUFLEZLAQOKIL-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.75
Rot. Bonds6

About tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate (PubChem CID 105415924) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate
PubChem CID105415924
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate
SMILESCN(C)C1(CNC2CCCC2CNC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C18H35N3O2/c1-17(2,3)23-16(22)19-12-14-8-6-9-15(14)20-13-18(21(4)5)10-7-11-18/h14-15,20H,6-13H2,1-5H3,(H,19,22)
InChIKeyBOUFLEZLAQOKIL-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
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CID 103695707
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-[3-[methyl(propan-2-yl)amino]propylamino]cyclopentyl]methyl]carbamate
CID 103947617
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate (CID 105415924) is tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate is CN(C)C1(CNC2CCCC2CNC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is BOUFLEZLAQOKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-17(2,3)23-16(22)19-12-14-8-6-9-15(14)20-13-18(21(4)5)10-7-11-18/h14-15,20H,6-13H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.75, 6 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-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 105415924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).