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

C18H37N3O2 — CID 107446347

IUPACtert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)NCCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-17(2,3)21-12-11-19-15-10-8-7-9-14(15)13-20-16(22)23-18(4,5)6/h14-15,19,21H,7-13H2,1-6H3,(H,20,22)
InChIKeyYBYIABWXPJSNPQ-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.05
Rot. Bonds6

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

tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate (PubChem CID 107446347) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
PubChem CID107446347
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)NCCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-17(2,3)21-12-11-19-15-10-8-7-9-14(15)13-20-16(22)23-18(4,5)6/h14-15,19,21H,7-13H2,1-6H3,(H,20,22)
InChIKeyYBYIABWXPJSNPQ-UHFFFAOYSA-N
XLogP3.05
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
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
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate
CID 113356854
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-(2-prop-2-ynylsulfanylethylamino)cyclohexyl]methyl]carbamate
CID 103949273
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-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate (CID 107446347) is tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate is CC(C)(C)NCCNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate?
The InChIKey is YBYIABWXPJSNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-17(2,3)21-12-11-19-15-10-8-7-9-14(15)13-20-16(22)23-18(4,5)6/h14-15,19,21H,7-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 107446347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).