tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate

C19H36N2O2 — CID 107251493

IUPACtert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC1CCCCCC1
InChIInChI=1S/C19H36N2O2/c1-19(2,3)23-18(22)21-14-16-11-8-12-17(16)20-13-15-9-6-4-5-7-10-15/h15-17,20H,4-14H2,1-3H3,(H,21,22)
InChIKeyWSHRNRZJPVOYSI-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.24
Rot. Bonds5

About tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate (PubChem CID 107251493) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
PubChem CID107251493
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC1CCCCCC1
InChIInChI=1S/C19H36N2O2/c1-19(2,3)23-18(22)21-14-16-11-8-12-17(16)20-13-15-9-6-4-5-7-10-15/h15-17,20H,4-14H2,1-3H3,(H,21,22)
InChIKeyWSHRNRZJPVOYSI-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate
CID 107251461
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
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-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate (CID 107251493) is tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCC1CCCCCC1.
What is the InChIKey of tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is WSHRNRZJPVOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-19(2,3)23-18(22)21-14-16-11-8-12-17(16)20-13-15-9-6-4-5-7-10-15/h15-17,20H,4-14H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 107251493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).