prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine

C13H21N — CID 143243657

IUPACprop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC=CC.[H]/N=C/C1CC(C)=C(C)C=C1C
InChIInChI=1S/C10H15N.C3H6/c1-7-4-9(3)10(6-11)5-8(7)2;1-3-2/h4,6,10-11H,5H2,1-3H3;3H,1H2,2H3/b11-6+;
InChIKeyRTMBLEFPWRJHGZ-ICSBZGNSSA-N
MW191.32 g/mol
LogP4.13
Rot. Bonds1

About prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine

prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 143243657) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound Nameprop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID143243657
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameprop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
SMILESC=CC.[H]/N=C/C1CC(C)=C(C)C=C1C
InChIInChI=1S/C10H15N.C3H6/c1-7-4-9(3)10(6-11)5-8(7)2;1-3-2/h4,6,10-11H,5H2,1-3H3;3H,1H2,2H3/b11-6+;
InChIKeyRTMBLEFPWRJHGZ-ICSBZGNSSA-N
XLogP4.13
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine (CID 143243657) is prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine is C=CC.[H]/N=C/C1CC(C)=C(C)C=C1C.
What is the InChIKey of prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is RTMBLEFPWRJHGZ-ICSBZGNSSA-N. The full InChI is InChI=1S/C10H15N.C3H6/c1-7-4-9(3)10(6-11)5-8(7)2;1-3-2/h4,6,10-11H,5H2,1-3H3;3H,1H2,2H3/b11-6+;.
What are the key properties of prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine?
prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 191.32 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 143243657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).