(4-propan-2-ylcyclohexyl) carbamate

C10H19NO2 — CID 122545653

IUPAC(4-propan-2-ylcyclohexyl) carbamate
SMILESCC(C)C1CCC(OC(N)=O)CC1
InChIInChI=1S/C10H19NO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h7-9H,3-6H2,1-2H3,(H2,11,12)
InChIKeyWXDRPAVKRCUBNW-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.30
Rot. Bonds2

About (4-propan-2-ylcyclohexyl) carbamate

(4-propan-2-ylcyclohexyl) carbamate (PubChem CID 122545653) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl) carbamate.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl) carbamate
PubChem CID122545653
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4-propan-2-ylcyclohexyl) carbamate
SMILESCC(C)C1CCC(OC(N)=O)CC1
InChIInChI=1S/C10H19NO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h7-9H,3-6H2,1-2H3,(H2,11,12)
InChIKeyWXDRPAVKRCUBNW-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl) carbamate?
The IUPAC name of (4-propan-2-ylcyclohexyl) carbamate (CID 122545653) is (4-propan-2-ylcyclohexyl) carbamate.
What is the SMILES notation for (4-propan-2-ylcyclohexyl) carbamate?
The canonical SMILES for (4-propan-2-ylcyclohexyl) carbamate is CC(C)C1CCC(OC(N)=O)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl) carbamate?
The InChIKey is WXDRPAVKRCUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h7-9H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of (4-propan-2-ylcyclohexyl) carbamate?
(4-propan-2-ylcyclohexyl) carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl) carbamate is sourced from PubChem (CID 122545653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).