N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide

C10H14N2 — CID 167144649

IUPACN-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C\C(C)=C/C=C/C
InChIInChI=1S/C10H14N2/c1-3-4-6-10(2)7-5-8-12-9-11/h3-9,11H,1-2H3/b4-3+,7-5-,10-6-,11-9+,12-8+
InChIKeyLUAJECQHUDOUHX-BOHWCFQMSA-N
MW162.24 g/mol
LogP2.74
Rot. Bonds4

About N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide

N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide (PubChem CID 167144649) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide.

Molecular Properties

Compound NameN-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide
PubChem CID167144649
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C\C(C)=C/C=C/C
InChIInChI=1S/C10H14N2/c1-3-4-6-10(2)7-5-8-12-9-11/h3-9,11H,1-2H3/b4-3+,7-5-,10-6-,11-9+,12-8+
InChIKeyLUAJECQHUDOUHX-BOHWCFQMSA-N
XLogP2.74
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide?
The IUPAC name of N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide (CID 167144649) is N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide.
What is the SMILES notation for N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide?
The canonical SMILES for N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide is [H]/N=C/N=C/C=C\C(C)=C/C=C/C.
What is the InChIKey of N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide?
The InChIKey is LUAJECQHUDOUHX-BOHWCFQMSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-4-6-10(2)7-5-8-12-9-11/h3-9,11H,1-2H3/b4-3+,7-5-,10-6-,11-9+,12-8+.
What are the key properties of N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide?
N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide has a molecular weight of 162.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6E)-4-methylocta-2,4,6-trienylidene]methanimidamide is sourced from PubChem (CID 167144649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).