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

C17H28N2O3 — CID 103695350

IUPACtert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1ccco1
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(20)19-11-13-7-4-5-9-15(13)18-12-14-8-6-10-21-14/h6,8,10,13,15,18H,4-5,7,9,11-12H2,1-3H3,(H,19,20)
InChIKeyDHNTUEAUVRCVCI-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.45
Rot. Bonds5

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

tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate (PubChem CID 103695350) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
PubChem CID103695350
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1ccco1
InChIInChI=1S/C17H28N2O3/c1-17(2,3)22-16(20)19-11-13-7-4-5-9-15(13)18-12-14-8-6-10-21-14/h6,8,10,13,15,18H,4-5,7,9,11-12H2,1-3H3,(H,19,20)
InChIKeyDHNTUEAUVRCVCI-UHFFFAOYSA-N
XLogP3.45
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974
tert-butyl N-[[2-(1,2-oxazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103775229
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate
CID 113242210
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
tert-butyl N-[[2-[(3-aminothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 107251439
tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 106393408
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588
tert-butyl N-[[(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)cyclopentyl]methyl]carbamate
CID 97048208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate (CID 103695350) is tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCc1ccco1.
What is the InChIKey of tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is DHNTUEAUVRCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,3)22-16(20)19-11-13-7-4-5-9-15(13)18-12-14-8-6-10-21-14/h6,8,10,13,15,18H,4-5,7,9,11-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).