tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate

C16H32N2O3 — CID 115359109

IUPACtert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate
SMILESCC(C)(CO)CNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-15(2,3)21-14(20)18-13-8-6-12(7-9-13)17-10-16(4,5)11-19/h12-13,17,19H,6-11H2,1-5H3,(H,18,20)
InChIKeyFHNSGWHYNOJKPD-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate (PubChem CID 115359109) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate
PubChem CID115359109
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate
SMILESCC(C)(CO)CNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3/c1-15(2,3)21-14(20)18-13-8-6-12(7-9-13)17-10-16(4,5)11-19/h12-13,17,19H,6-11H2,1-5H3,(H,18,20)
InChIKeyFHNSGWHYNOJKPD-UHFFFAOYSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate (CID 115359109) is tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate is CC(C)(CO)CNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate?
The InChIKey is FHNSGWHYNOJKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-15(2,3)21-14(20)18-13-8-6-12(7-9-13)17-10-16(4,5)11-19/h12-13,17,19H,6-11H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 115359109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).