tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate

C19H38N2O4 — CID 113356854

IUPACtert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate
SMILESCOCCOCCCCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O4/c1-19(2,3)25-18(22)21-15-16-9-5-6-10-17(16)20-11-7-8-12-24-14-13-23-4/h16-17,20H,5-15H2,1-4H3,(H,21,22)
InChIKeyFAVPUPOWCATDOV-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.10
Rot. Bonds11

About tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate (PubChem CID 113356854) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate
PubChem CID113356854
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Nametert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate
SMILESCOCCOCCCCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O4/c1-19(2,3)25-18(22)21-15-16-9-5-6-10-17(16)20-11-7-8-12-24-14-13-23-4/h16-17,20H,5-15H2,1-4H3,(H,21,22)
InChIKeyFAVPUPOWCATDOV-UHFFFAOYSA-N
XLogP3.10
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-(3-methylsulfinylpropylamino)cyclopentyl]methyl]carbamate
CID 115972016
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103947742
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
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-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
CID 113242209
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
CID 103695707

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate (CID 113356854) is tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate is COCCOCCCCNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate?
The InChIKey is FAVPUPOWCATDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-19(2,3)25-18(22)21-15-16-9-5-6-10-17(16)20-11-7-8-12-24-14-13-23-4/h16-17,20H,5-15H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate has a molecular weight of 358.52 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 113356854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).