1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine

C9H17N3 — CID 89170466

IUPAC1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)CC
InChIInChI=1S/C9H17N3/c1-5-7-8(3)11-9(10)12(4)6-2/h5,7H,1,6H2,2-4H3,(H2,10,11)/b8-7-
InChIKeyZWUORNPNSMKNAV-FPLPWBNLSA-N
MW167.26 g/mol
LogP1.34
Rot. Bonds3

About 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine

1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (PubChem CID 89170466) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
PubChem CID89170466
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)CC
InChIInChI=1S/C9H17N3/c1-5-7-8(3)11-9(10)12(4)6-2/h5,7H,1,6H2,2-4H3,(H2,10,11)/b8-7-
InChIKeyZWUORNPNSMKNAV-FPLPWBNLSA-N
XLogP1.34
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.34
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 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The IUPAC name of 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (CID 89170466) is 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.
What is the SMILES notation for 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The canonical SMILES for 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is C=C/C=C(C)\N=C(/N)N(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The InChIKey is ZWUORNPNSMKNAV-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-7-8(3)11-9(10)12(4)6-2/h5,7H,1,6H2,2-4H3,(H2,10,11)/b8-7-.
What are the key properties of 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine has a molecular weight of 167.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is sourced from PubChem (CID 89170466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).