tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate

C18H36N2O2 — CID 107251414

IUPACtert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
SMILESCCCC(C)CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-6-9-14(2)12-19-16-11-8-7-10-15(16)13-20-17(21)22-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyVNVAUGOBYYDKRM-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.10
Rot. Bonds7

About tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate (PubChem CID 107251414) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
PubChem CID107251414
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
SMILESCCCC(C)CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-6-9-14(2)12-19-16-11-8-7-10-15(16)13-20-17(21)22-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyVNVAUGOBYYDKRM-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate
CID 66091560
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[(2-ethyl-4-hydroxybutyl)amino]cyclopentyl]methyl]carbamate
CID 103747891
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
CID 113242209
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103947742
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate (CID 107251414) is tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate is CCCC(C)CNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate?
The InChIKey is VNVAUGOBYYDKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-6-9-14(2)12-19-16-11-8-7-10-15(16)13-20-17(21)22-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 107251414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).