(5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate

C14H27NO2 — CID 10444379

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate
SMILESCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H27NO2/c1-5-8-15-14(16)17-13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,15,16)
InChIKeyKXDOSIONKLZYKA-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.58
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate (PubChem CID 10444379) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate
PubChem CID10444379
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate
SMILESCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H27NO2/c1-5-8-15-14(16)17-13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,15,16)
InChIKeyKXDOSIONKLZYKA-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate (CID 10444379) is (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate is CCCNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate?
The InChIKey is KXDOSIONKLZYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-8-15-14(16)17-13-9-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate has a molecular weight of 241.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-propylcarbamate is sourced from PubChem (CID 10444379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).