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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Related Compounds

N'-[(3Z)-5-chloro-2-fluoro-2-methylhexa-3,5-dien-3-yl]methanimidamide
CID 88056784
N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide
CID 146203764
N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 121462325

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).