(1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine

C14H22N2 — CID 89254812

IUPAC(1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
SMILESC/N=C/C=C/C(C)=C(C)/C(C)=C/C=C/NC
InChIInChI=1S/C14H22N2/c1-12(8-6-10-15-4)14(3)13(2)9-7-11-16-5/h6-11,15H,1-5H3/b9-7+,10-6+,12-8+,14-13+,16-11+
InChIKeyYUWWWUGMKVMMHE-HYPBKQAISA-N
MW218.34 g/mol
LogP3.26
Rot. Bonds5

About (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine

(1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine (PubChem CID 89254812) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
PubChem CID89254812
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
SMILESC/N=C/C=C/C(C)=C(C)/C(C)=C/C=C/NC
InChIInChI=1S/C14H22N2/c1-12(8-6-10-15-4)14(3)13(2)9-7-11-16-5/h6-11,15H,1-5H3/b9-7+,10-6+,12-8+,14-13+,16-11+
InChIKeyYUWWWUGMKVMMHE-HYPBKQAISA-N
XLogP3.26
TPSA24.39 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 ≤ 53.26
H-Bond Donors ≤ 51
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 (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine (CID 89254812) is (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine is C/N=C/C=C/C(C)=C(C)/C(C)=C/C=C/NC.
What is the InChIKey of (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
The InChIKey is YUWWWUGMKVMMHE-HYPBKQAISA-N. The full InChI is InChI=1S/C14H22N2/c1-12(8-6-10-15-4)14(3)13(2)9-7-11-16-5/h6-11,15H,1-5H3/b9-7+,10-6+,12-8+,14-13+,16-11+.
What are the key properties of (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine?
(1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E,7E)-N,4,5,6-tetramethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 89254812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).