(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate

C15H25NO2 — CID 139683818

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC1(C)C=CC=CC1C)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)16(12(3)4)14(17)18-15(6)10-8-7-9-13(15)5/h7-13H,1-6H3
InChIKeyPKFHJATXFFLDQM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.76
Rot. Bonds3

About (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate

(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate (PubChem CID 139683818) 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-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate
PubChem CID139683818
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC1(C)C=CC=CC1C)C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)16(12(3)4)14(17)18-15(6)10-8-7-9-13(15)5/h7-13H,1-6H3
InChIKeyPKFHJATXFFLDQM-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3Z)-6-methylhepta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727156
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate
CID 139683813
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate
CID 139683819
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate
CID 139683820
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate
CID 141299160
(1E)-4-methyl-1-vinyl-1-pentenyl diisopropylcarbamate
CID 15727157
[(4Z,6S)-7-hydroxy-2,6,7-trimethylocta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631692
[(4Z)-7-hydroxy-2,6,7-trimethylocta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631693

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate (CID 139683818) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC1(C)C=CC=CC1C)C(C)C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate?
The InChIKey is PKFHJATXFFLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)16(12(3)4)14(17)18-15(6)10-8-7-9-13(15)5/h7-13H,1-6H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate has a molecular weight of 251.37 g/mol, XLogP of 3.76, 3 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-di(propan-2-yl)carbamate is sourced from PubChem (CID 139683818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).