(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate

C15H25NO2 — CID 139683819

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C15H25NO2/c1-5-11-16(12-6-2)14(17)18-15(4)10-8-7-9-13(15)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyZPDQIEOUYNCVBY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.77
Rot. Bonds5

About (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate

(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate (PubChem CID 139683819) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate
PubChem CID139683819
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C15H25NO2/c1-5-11-16(12-6-2)14(17)18-15(4)10-8-7-9-13(15)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyZPDQIEOUYNCVBY-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate (CID 139683819) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate is CCCN(CCC)C(=O)OC1(C)C=CC=CC1C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate?
The InChIKey is ZPDQIEOUYNCVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-11-16(12-6-2)14(17)18-15(4)10-8-7-9-13(15)3/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate has a molecular weight of 251.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate is sourced from PubChem (CID 139683819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).