tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate

C17H34N2O2 — CID 115756939

IUPACtert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
SMILESCCC(CC)CNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-6-13(7-2)12-18-14-8-10-15(11-9-14)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyJKHPZSQMWYPKES-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds6

About tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate

tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate (PubChem CID 115756939) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
PubChem CID115756939
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
SMILESCCC(CC)CNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-6-13(7-2)12-18-14-8-10-15(11-9-14)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyJKHPZSQMWYPKES-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate
CID 103720045
tert-butyl N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclohexyl]carbamate
CID 106171656
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
CID 106171027
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate
CID 80560818
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate (CID 115756939) is tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate is CCC(CC)CNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate?
The InChIKey is JKHPZSQMWYPKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-13(7-2)12-18-14-8-10-15(11-9-14)19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate is sourced from PubChem (CID 115756939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).