tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane

C18H38N2O2 — CID 143321325

IUPACtert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane
SMILESCC.CC(C)CNCC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2.C2H6/c1-12(2)10-17-11-13-8-6-7-9-14(13)18-15(19)20-16(3,4)5;1-2/h12-14,17H,6-11H2,1-5H3,(H,18,19);1-2H3
InChIKeyXRMSHEAXBXSHHC-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane

tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane (PubChem CID 143321325) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane
PubChem CID143321325
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Nametert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane
SMILESCC.CC(C)CNCC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2.C2H6/c1-12(2)10-17-11-13-8-6-7-9-14(13)18-15(19)20-16(3,4)5;1-2/h12-14,17H,6-11H2,1-5H3,(H,18,19);1-2H3
InChIKeyXRMSHEAXBXSHHC-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane (CID 143321325) is tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane is CC.CC(C)CNCC1CCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane?
The InChIKey is XRMSHEAXBXSHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.C2H6/c1-12(2)10-17-11-13-8-6-7-9-14(13)18-15(19)20-16(3,4)5;1-2/h12-14,17H,6-11H2,1-5H3,(H,18,19);1-2H3.
What are the key properties of tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane?
tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane has a molecular weight of 314.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane is sourced from PubChem (CID 143321325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).