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

C10H19N3 — CID 89170026

IUPAC1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(CC)CC
InChIInChI=1S/C10H19N3/c1-5-8-9(4)12-10(11)13(6-2)7-3/h5,8H,1,6-7H2,2-4H3,(H2,11,12)/b9-8-
InChIKeyFBYUUUJSLJDKTJ-HJWRWDBZSA-N
MW181.28 g/mol
LogP1.73
Rot. Bonds4

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

1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (PubChem CID 89170026) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
PubChem CID89170026
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(CC)CC
InChIInChI=1S/C10H19N3/c1-5-8-9(4)12-10(11)13(6-2)7-3/h5,8H,1,6-7H2,2-4H3,(H2,11,12)/b9-8-
InChIKeyFBYUUUJSLJDKTJ-HJWRWDBZSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.73
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 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The IUPAC name of 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (CID 89170026) is 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is C=C/C=C(C)\N=C(/N)N(CC)CC.
What is the InChIKey of 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The InChIKey is FBYUUUJSLJDKTJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8-9(4)12-10(11)13(6-2)7-3/h5,8H,1,6-7H2,2-4H3,(H2,11,12)/b9-8-.
What are the key properties of 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine has a molecular weight of 181.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is sourced from PubChem (CID 89170026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).