(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine

C14H22N2 — CID 138565184

IUPAC(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine
SMILES[H]/N=C(/C=C\C(C)CC1=C(C)CN=C1C)CC
InChIInChI=1S/C14H22N2/c1-5-13(15)7-6-10(2)8-14-11(3)9-16-12(14)4/h6-7,10,15H,5,8-9H2,1-4H3/b7-6-,15-13+
InChIKeyQKKNPRKMQHZRGC-KCULAGMESA-N
MW218.34 g/mol
LogP3.79
Rot. Bonds5

About (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine

(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine (PubChem CID 138565184) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine
PubChem CID138565184
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine
SMILES[H]/N=C(/C=C\C(C)CC1=C(C)CN=C1C)CC
InChIInChI=1S/C14H22N2/c1-5-13(15)7-6-10(2)8-14-11(3)9-16-12(14)4/h6-7,10,15H,5,8-9H2,1-4H3/b7-6-,15-13+
InChIKeyQKKNPRKMQHZRGC-KCULAGMESA-N
XLogP3.79
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine?
The IUPAC name of (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine (CID 138565184) is (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine.
What is the SMILES notation for (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine?
The canonical SMILES for (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine is [H]/N=C(/C=C\C(C)CC1=C(C)CN=C1C)CC.
What is the InChIKey of (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine?
The InChIKey is QKKNPRKMQHZRGC-KCULAGMESA-N. The full InChI is InChI=1S/C14H22N2/c1-5-13(15)7-6-10(2)8-14-11(3)9-16-12(14)4/h6-7,10,15H,5,8-9H2,1-4H3/b7-6-,15-13+.
What are the key properties of (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine?
(Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine has a molecular weight of 218.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-6-methylhept-4-en-3-imine is sourced from PubChem (CID 138565184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).