2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine

C10H15N3 — CID 154649429

IUPAC2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C(=C\C=C/C)C(=C)C
InChIInChI=1S/C10H15N3/c1-5-6-7-9(8(2)3)13-10(11)12-4/h5-7H,2,4H2,1,3H3,(H2,11,13)/b6-5-,9-7+
InChIKeyOJGCNWBPWORXMU-BZWSEGBZSA-N
MW177.25 g/mol
LogP2.04
Rot. Bonds3

About 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine

2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine (PubChem CID 154649429) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine.

Molecular Properties

Compound Name2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine
PubChem CID154649429
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C(=C\C=C/C)C(=C)C
InChIInChI=1S/C10H15N3/c1-5-6-7-9(8(2)3)13-10(11)12-4/h5-7H,2,4H2,1,3H3,(H2,11,13)/b6-5-,9-7+
InChIKeyOJGCNWBPWORXMU-BZWSEGBZSA-N
XLogP2.04
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.04
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

1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
CID 59107797
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
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
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine
CID 118403159
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
2-(4-Methylcyclohexa-1,5-dien-1-yl)guanidine
CID 123347365
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine?
The IUPAC name of 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine (CID 154649429) is 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine.
What is the SMILES notation for 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine?
The canonical SMILES for 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine is C=N/C(N)=N\C(=C\C=C/C)C(=C)C.
What is the InChIKey of 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine?
The InChIKey is OJGCNWBPWORXMU-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-7-9(8(2)3)13-10(11)12-4/h5-7H,2,4H2,1,3H3,(H2,11,13)/b6-5-,9-7+.
What are the key properties of 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine?
2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine has a molecular weight of 177.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-1-methylideneguanidine is sourced from PubChem (CID 154649429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).