tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate

C19H36N2O2 — CID 107251461

IUPACtert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC1CCCC(CNC2CCCC2CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-14-7-5-8-15(11-14)12-20-17-10-6-9-16(17)13-21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22)
InChIKeyGHWBRNLNMLSPJM-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.10
Rot. Bonds5

About tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 107251461) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID107251461
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC1CCCC(CNC2CCCC2CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-14-7-5-8-15(11-14)12-20-17-10-6-9-16(17)13-21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22)
InChIKeyGHWBRNLNMLSPJM-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
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-methyl-2-methylsulfonylpropyl)amino]cyclopentyl]methyl]carbamate
CID 103724687
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate (CID 107251461) is tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate is CC1CCCC(CNC2CCCC2CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is GHWBRNLNMLSPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-14-7-5-8-15(11-14)12-20-17-10-6-9-16(17)13-21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.10, 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-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 107251461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).