1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine

C9H15N3 — CID 148737782

IUPAC1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine
SMILESC=C(/C=C\C=C/C)N/C(N)=N/C
InChIInChI=1S/C9H15N3/c1-4-5-6-7-8(2)12-9(10)11-3/h4-7H,2H2,1,3H3,(H3,10,11,12)/b5-4-,7-6-
InChIKeyOCFUIMHHUZJPCR-RZSVFLSASA-N
MW165.24 g/mol
LogP1.17
Rot. Bonds3

About 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine

1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine (PubChem CID 148737782) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine
PubChem CID148737782
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine
SMILESC=C(/C=C\C=C/C)N/C(N)=N/C
InChIInChI=1S/C9H15N3/c1-4-5-6-7-8(2)12-9(10)11-3/h4-7H,2H2,1,3H3,(H3,10,11,12)/b5-4-,7-6-
InChIKeyOCFUIMHHUZJPCR-RZSVFLSASA-N
XLogP1.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
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'-[(3E)-3-fluoropenta-1,3-dien-2-yl]-N-[(3Z)-penta-1,3-dien-2-yl]carbamimidoyl fluoride
CID 156299547
6-Methyl-1,4-dihydropyrimidin-2-amine
CID 435185
N'-methyl-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]carbamimidoyl chloride
CID 88189430
1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89170466
6-ethylidene-N-methyl-1H-pyrimidin-4-amine
CID 89513878
4-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 89797928
2-methyl-1-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89881844
2-chloro-N'-methyl-6-methylidenepyridine-1-carboximidamide
CID 117633131
(4E)-5-methylidene-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4-prop-2-enylidene-1H-imidazol-2-amine
CID 126552115
N'-methyl-N-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 126636618
N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide
CID 129253260
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 132199712

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine?
The IUPAC name of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine (CID 148737782) is 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine.
What is the SMILES notation for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine?
The canonical SMILES for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine is C=C(/C=C\C=C/C)N/C(N)=N/C.
What is the InChIKey of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine?
The InChIKey is OCFUIMHHUZJPCR-RZSVFLSASA-N. The full InChI is InChI=1S/C9H15N3/c1-4-5-6-7-8(2)12-9(10)11-3/h4-7H,2H2,1,3H3,(H3,10,11,12)/b5-4-,7-6-.
What are the key properties of 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine?
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine has a molecular weight of 165.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine is sourced from PubChem (CID 148737782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).