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

C14H28N2O2 — CID 66569216

IUPACtert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)15-11-6-8-12(9-7-11)16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyDGOMFIXMWCIEBX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.82
Rot. Bonds3

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

tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate (PubChem CID 66569216) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate
PubChem CID66569216
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-10(2)15-11-6-8-12(9-7-11)16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyDGOMFIXMWCIEBX-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate (CID 66569216) is tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate is CC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate?
The InChIKey is DGOMFIXMWCIEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)15-11-6-8-12(9-7-11)16-13(17)18-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(propan-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 66569216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).