N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine

C17H26N2 — CID 167082954

IUPACN,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine
SMILESC/C=C\C(=C/C=N/C)C1C=C(C)/C(=N/C)C(C)CC1
InChIInChI=1S/C17H26N2/c1-6-7-15(10-11-18-4)16-9-8-13(2)17(19-5)14(3)12-16/h6-7,10-13,16H,8-9H2,1-5H3/b7-6-,15-10+,18-11+,19-17+
InChIKeyBDMARWGRBYQOLF-FINPFHJRSA-N
MW258.41 g/mol
LogP4.25
Rot. Bonds3

About N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine

N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine (PubChem CID 167082954) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine.

Molecular Properties

Compound NameN,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine
PubChem CID167082954
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine
SMILESC/C=C\C(=C/C=N/C)C1C=C(C)/C(=N/C)C(C)CC1
InChIInChI=1S/C17H26N2/c1-6-7-15(10-11-18-4)16-9-8-13(2)17(19-5)14(3)12-16/h6-7,10-13,16H,8-9H2,1-5H3/b7-6-,15-10+,18-11+,19-17+
InChIKeyBDMARWGRBYQOLF-FINPFHJRSA-N
XLogP4.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine?
The IUPAC name of N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine (CID 167082954) is N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine.
What is the SMILES notation for N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine?
The canonical SMILES for N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine is C/C=C\C(=C/C=N/C)C1C=C(C)/C(=N/C)C(C)CC1.
What is the InChIKey of N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine?
The InChIKey is BDMARWGRBYQOLF-FINPFHJRSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-7-15(10-11-18-4)16-9-8-13(2)17(19-5)14(3)12-16/h6-7,10-13,16H,8-9H2,1-5H3/b7-6-,15-10+,18-11+,19-17+.
What are the key properties of N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine?
N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine has a molecular weight of 258.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-trimethyl-4-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]cyclohept-2-en-1-imine is sourced from PubChem (CID 167082954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).