tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate

C17H34N2O2 — CID 107250560

IUPACtert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
SMILESCCC(CNCCC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-5-15(19-16(20)21-17(2,3)4)13-18-12-11-14-9-7-6-8-10-14/h14-15,18H,5-13H2,1-4H3,(H,19,20)
InChIKeyBFAYTJOOGWSCMM-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds7

About tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate

tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate (PubChem CID 107250560) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
PubChem CID107250560
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
SMILESCCC(CNCCC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-5-15(19-16(20)21-17(2,3)4)13-18-12-11-14-9-7-6-8-10-14/h14-15,18H,5-13H2,1-4H3,(H,19,20)
InChIKeyBFAYTJOOGWSCMM-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
CID 107250285
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
tert-butyl N-[1-(3-methylsulfanylpropylamino)butan-2-yl]carbamate
CID 107250110
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]butan-2-yl]carbamate
CID 107250152
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate (CID 107250560) is tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate is CCC(CNCCC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate?
The InChIKey is BFAYTJOOGWSCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-15(19-16(20)21-17(2,3)4)13-18-12-11-14-9-7-6-8-10-14/h14-15,18H,5-13H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).