1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane

C12H20N2 — CID 129042770

IUPAC1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane
SMILESCN1CCCN(CC2=CC=CCC2)C1
InChIInChI=1S/C12H20N2/c1-13-8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-3,6H,4-5,7-11H2,1H3
InChIKeyUFGVHDYTMOVFQU-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.86
Rot. Bonds2

About 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane

1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane (PubChem CID 129042770) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane.

Molecular Properties

Compound Name1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane
PubChem CID129042770
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane
SMILESCN1CCCN(CC2=CC=CCC2)C1
InChIInChI=1S/C12H20N2/c1-13-8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-3,6H,4-5,7-11H2,1H3
InChIKeyUFGVHDYTMOVFQU-UHFFFAOYSA-N
XLogP1.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane?
The IUPAC name of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane (CID 129042770) is 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane.
What is the SMILES notation for 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane?
The canonical SMILES for 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane is CN1CCCN(CC2=CC=CCC2)C1.
What is the InChIKey of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane?
The InChIKey is UFGVHDYTMOVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-3,6H,4-5,7-11H2,1H3.
What are the key properties of 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane?
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane has a molecular weight of 192.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-1,3-diazinane is sourced from PubChem (CID 129042770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).