tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate

C19H36N2O2 — CID 103819112

IUPACtert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
SMILESCC1(C)CCCC(NC2CCCC2CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)20-13-14-8-6-10-16(14)21-15-9-7-11-19(4,5)12-15/h14-16,21H,6-13H2,1-5H3,(H,20,22)
InChIKeyNQPYCIFSVHATKF-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate (PubChem CID 103819112) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
PubChem CID103819112
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
SMILESCC1(C)CCCC(NC2CCCC2CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)20-13-14-8-6-10-16(14)21-15-9-7-11-19(4,5)12-15/h14-16,21H,6-13H2,1-5H3,(H,20,22)
InChIKeyNQPYCIFSVHATKF-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 99782010
tert-butyl N-[[2-[(3-methoxycyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 104584543
tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 103695447
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-[(2-methyloxan-4-yl)amino]cyclopentyl]methyl]carbamate
CID 103910973
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
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-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate (CID 103819112) is tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate is CC1(C)CCCC(NC2CCCC2CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is NQPYCIFSVHATKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-18(2,3)23-17(22)20-13-14-8-6-10-16(14)21-15-9-7-11-19(4,5)12-15/h14-16,21H,6-13H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).