tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid

C17H30N2O2 — CID 67126555

IUPACtert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(N(C2CC2)C2CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)19(16(20)21)15-10-8-14(9-11-15)18(12-4-5-12)13-6-7-13/h12-15H,4-11H2,1-3H3,(H,20,21)
InChIKeyAGYWIWHWXDEKBB-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.70
Rot. Bonds4

About tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid

tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid (PubChem CID 67126555) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
PubChem CID67126555
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nametert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(N(C2CC2)C2CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-17(2,3)19(16(20)21)15-10-8-14(9-11-15)18(12-4-5-12)13-6-7-13/h12-15H,4-11H2,1-3H3,(H,20,21)
InChIKeyAGYWIWHWXDEKBB-UHFFFAOYSA-N
XLogP3.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid?
The IUPAC name of tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid (CID 67126555) is tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCC(N(C2CC2)C2CC2)CC1.
What is the InChIKey of tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid?
The InChIKey is AGYWIWHWXDEKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)19(16(20)21)15-10-8-14(9-11-15)18(12-4-5-12)13-6-7-13/h12-15H,4-11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid?
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid has a molecular weight of 294.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid is sourced from PubChem (CID 67126555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).