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

C16H26N2O3 — CID 78998933

IUPACtert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2ccco2)CC1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-13-8-6-12(7-9-13)17-11-14-5-4-10-20-14/h4-5,10,12-13,17H,6-9,11H2,1-3H3,(H,18,19)
InChIKeyQZQFJFQQMODFHW-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.21
Rot. Bonds4

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

tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate (PubChem CID 78998933) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
PubChem CID78998933
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2ccco2)CC1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-13-8-6-12(7-9-13)17-11-14-5-4-10-20-14/h4-5,10,12-13,17H,6-9,11H2,1-3H3,(H,18,19)
InChIKeyQZQFJFQQMODFHW-UHFFFAOYSA-N
XLogP3.21
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
CID 103720087
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 100662508
tert-butyl N-[4-[[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]cyclohexyl]carbamate
CID 110055376
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339
tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390
tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate
CID 75408320
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate (CID 78998933) is tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCc2ccco2)CC1.
What is the InChIKey of tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate?
The InChIKey is QZQFJFQQMODFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-13-8-6-12(7-9-13)17-11-14-5-4-10-20-14/h4-5,10,12-13,17H,6-9,11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 78998933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).