N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine

C13H19N — CID 90746159

IUPACN-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine
SMILESCC(C)=N/C(C)=C/C1C=CC=CC1C
InChIInChI=1S/C13H19N/c1-10(2)14-12(4)9-13-8-6-5-7-11(13)3/h5-9,11,13H,1-4H3/b12-9+
InChIKeyGIAZGMKOSNIKPA-FMIVXFBMSA-N
MW189.30 g/mol
LogP3.75
Rot. Bonds2

About N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine

N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine (PubChem CID 90746159) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine
PubChem CID90746159
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine
SMILESCC(C)=N/C(C)=C/C1C=CC=CC1C
InChIInChI=1S/C13H19N/c1-10(2)14-12(4)9-13-8-6-5-7-11(13)3/h5-9,11,13H,1-4H3/b12-9+
InChIKeyGIAZGMKOSNIKPA-FMIVXFBMSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine?
The IUPAC name of N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine (CID 90746159) is N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine.
What is the SMILES notation for N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine?
The canonical SMILES for N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine is CC(C)=N/C(C)=C/C1C=CC=CC1C.
What is the InChIKey of N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine?
The InChIKey is GIAZGMKOSNIKPA-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)14-12(4)9-13-8-6-5-7-11(13)3/h5-9,11,13H,1-4H3/b12-9+.
What are the key properties of N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine?
N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-methylcyclohexa-2,4-dien-1-yl)prop-1-en-2-yl]propan-2-imine is sourced from PubChem (CID 90746159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).