2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine

C9H15N3 — CID 163935105

IUPAC2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine
SMILESC=C/C(N=C(N)N)=C(C)/C=C\C
InChIInChI=1S/C9H15N3/c1-4-6-7(3)8(5-2)12-9(10)11/h4-6H,2H2,1,3H3,(H4,10,11,12)/b6-4-,8-7-
InChIKeyRMBFSXBXWQDZBE-MOIRPGTBSA-N
MW165.24 g/mol
LogP1.30
Rot. Bonds3

About 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine

2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine (PubChem CID 163935105) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine.

Molecular Properties

Compound Name2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine
PubChem CID163935105
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine
SMILESC=C/C(N=C(N)N)=C(C)/C=C\C
InChIInChI=1S/C9H15N3/c1-4-6-7(3)8(5-2)12-9(10)11/h4-6H,2H2,1,3H3,(H4,10,11,12)/b6-4-,8-7-
InChIKeyRMBFSXBXWQDZBE-MOIRPGTBSA-N
XLogP1.30
TPSA64.40 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 ≤ 51.30
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

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
2-[(3Z)-4-ethyl-2-methylhexa-3,5-dien-3-yl]guanidine
CID 89149541
2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine
CID 89938679
2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
2-(3-Ethenylpenta-2,4-dien-2-yl)guanidine
CID 89938704
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
2-[(2Z)-3-methylpenta-2,4-dien-2-yl]guanidine
CID 117884212
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine?
The IUPAC name of 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine (CID 163935105) is 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine.
What is the SMILES notation for 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine?
The canonical SMILES for 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine is C=C/C(N=C(N)N)=C(C)/C=C\C.
What is the InChIKey of 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine?
The InChIKey is RMBFSXBXWQDZBE-MOIRPGTBSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-6-7(3)8(5-2)12-9(10)11/h4-6H,2H2,1,3H3,(H4,10,11,12)/b6-4-,8-7-.
What are the key properties of 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine?
2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine has a molecular weight of 165.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]guanidine is sourced from PubChem (CID 163935105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).