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

C16H31NO2 — CID 21064464

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate
SMILESCCCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-10-17-16(18)19-15-11-13(4)8-9-14(15)12(2)3/h12-15H,5-11H2,1-4H3,(H,17,18)
InChIKeyNUNDBFKCSPKBBF-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.36
Rot. Bonds6

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

(5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate (PubChem CID 21064464) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate
PubChem CID21064464
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate
SMILESCCCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-10-17-16(18)19-15-11-13(4)8-9-14(15)12(2)3/h12-15H,5-11H2,1-4H3,(H,17,18)
InChIKeyNUNDBFKCSPKBBF-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.36
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-pentylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate (CID 21064464) is (5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate is CCCCCNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate?
The InChIKey is NUNDBFKCSPKBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-6-7-10-17-16(18)19-15-11-13(4)8-9-14(15)12(2)3/h12-15H,5-11H2,1-4H3,(H,17,18).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-pentylcarbamate has a molecular weight of 269.43 g/mol, XLogP of 4.36, 6 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-pentylcarbamate is sourced from PubChem (CID 21064464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).