N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate

C12H22NO3- — CID 71433494

IUPACN-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate
SMILESCC(C)(C)N(CC1CCC(O)CC1)C(=O)[O-]
InChIInChI=1S/C12H23NO3/c1-12(2,3)13(11(15)16)8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)/p-1
InChIKeyRKEORJYMTRMSOK-UHFFFAOYSA-M
MW228.31 g/mol
LogP0.98
Rot. Bonds2

About N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate

N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate (PubChem CID 71433494) has the molecular formula C12H22NO3- and a molecular weight of 228.31 g/mol. Its IUPAC name is N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate
PubChem CID71433494
Molecular FormulaC12H22NO3-
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate
SMILESCC(C)(C)N(CC1CCC(O)CC1)C(=O)[O-]
InChIInChI=1S/C12H23NO3/c1-12(2,3)13(11(15)16)8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)/p-1
InChIKeyRKEORJYMTRMSOK-UHFFFAOYSA-M
XLogP0.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate?
The IUPAC name of N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate (CID 71433494) is N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate.
What is the SMILES notation for N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate?
The canonical SMILES for N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate is CC(C)(C)N(CC1CCC(O)CC1)C(=O)[O-].
What is the InChIKey of N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate?
The InChIKey is RKEORJYMTRMSOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)13(11(15)16)8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)/p-1.
What are the key properties of N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate?
N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate has a molecular weight of 228.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(4-hydroxycyclohexyl)methyl]carbamate is sourced from PubChem (CID 71433494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).