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

C15H29NO2 — CID 10244099

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate
SMILESCCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO2/c1-5-6-9-16-15(17)18-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)
InChIKeyJPMPMMKIDZNAEX-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.97
Rot. Bonds5

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

(5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate (PubChem CID 10244099) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate
PubChem CID10244099
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate
SMILESCCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO2/c1-5-6-9-16-15(17)18-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)
InChIKeyJPMPMMKIDZNAEX-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate (CID 10244099) is (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate is CCCCNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate?
The InChIKey is JPMPMMKIDZNAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-6-9-16-15(17)18-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-butylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 3.97, 5 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-butylcarbamate is sourced from PubChem (CID 10244099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).