(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene

C14H25N — CID 163245069

IUPAC(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene
SMILESC=CC.CC.[H]/N=C/C1=C(C)CCC=C1C
InChIInChI=1S/C9H13N.C3H6.C2H6/c1-7-4-3-5-8(2)9(7)6-10;1-3-2;1-2/h4,6,10H,3,5H2,1-2H3;3H,1H2,2H3;1-2H3/b10-6+;;
InChIKeyFQFDFVJQDWYBAQ-DOLBFOAYSA-N
MW207.36 g/mol
LogP4.91
Rot. Bonds1

About (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene

(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene (PubChem CID 163245069) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene.

Molecular Properties

Compound Name(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene
PubChem CID163245069
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene
SMILESC=CC.CC.[H]/N=C/C1=C(C)CCC=C1C
InChIInChI=1S/C9H13N.C3H6.C2H6/c1-7-4-3-5-8(2)9(7)6-10;1-3-2;1-2/h4,6,10H,3,5H2,1-2H3;3H,1H2,2H3;1-2H3/b10-6+;;
InChIKeyFQFDFVJQDWYBAQ-DOLBFOAYSA-N
XLogP4.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.91
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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Related Compounds

(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 163245070
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 169233651
1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene
CID 145256525
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 144895641
3-chloro-1-methyl-2-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 167200063
ethane;1-methylcyclobutene
CID 91484029
(5-ethenyl-1,6-dimethyl-2H-pyridin-4-yl)methanimine
CID 171629333
2,3-bis(ethenyl)-1-ethyl-7-methyl-4,5-dihydro-1H-indene
CID 144613775
5-ethylidene-1-methylcyclopentene
CID 123192916
6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 142103720

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene?
The IUPAC name of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene (CID 163245069) is (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene.
What is the SMILES notation for (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene?
The canonical SMILES for (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene is C=CC.CC.[H]/N=C/C1=C(C)CCC=C1C.
What is the InChIKey of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene?
The InChIKey is FQFDFVJQDWYBAQ-DOLBFOAYSA-N. The full InChI is InChI=1S/C9H13N.C3H6.C2H6/c1-7-4-3-5-8(2)9(7)6-10;1-3-2;1-2/h4,6,10H,3,5H2,1-2H3;3H,1H2,2H3;1-2H3/b10-6+;;.
What are the key properties of (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene?
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene has a molecular weight of 207.36 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene is sourced from PubChem (CID 163245069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).