N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide

C8H14N2 — CID 126717103

IUPACN'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
SMILESC/C=C(C)\C=C(C)/N=C/N
InChIInChI=1S/C8H14N2/c1-4-7(2)5-8(3)10-6-9/h4-6H,1-3H3,(H2,9,10)/b7-4-,8-5-
InChIKeyDEDYDOCJUHAPTB-IUNAMMOKSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds2

About N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide

N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide (PubChem CID 126717103) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
PubChem CID126717103
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
SMILESC/C=C(C)\C=C(C)/N=C/N
InChIInChI=1S/C8H14N2/c1-4-7(2)5-8(3)10-6-9/h4-6H,1-3H3,(H2,9,10)/b7-4-,8-5-
InChIKeyDEDYDOCJUHAPTB-IUNAMMOKSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.84
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)-4-methylhexa-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide (CID 126717103) is N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide is C/C=C(C)\C=C(C)/N=C/N.
What is the InChIKey of N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide?
The InChIKey is DEDYDOCJUHAPTB-IUNAMMOKSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-7(2)5-8(3)10-6-9/h4-6H,1-3H3,(H2,9,10)/b7-4-,8-5-.
What are the key properties of N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide?
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 126717103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).