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

C11H22N4 — CID 89170037

IUPAC1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)CCN(C)C
InChIInChI=1S/C11H22N4/c1-6-7-10(2)13-11(12)15(5)9-8-14(3)4/h6-7H,1,8-9H2,2-5H3,(H2,12,13)/b10-7-
InChIKeyQUHZRYYUDHWXHT-YFHOEESVSA-N
MW210.32 g/mol
LogP0.88
Rot. Bonds5

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

1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (PubChem CID 89170037) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
PubChem CID89170037
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)CCN(C)C
InChIInChI=1S/C11H22N4/c1-6-7-10(2)13-11(12)15(5)9-8-14(3)4/h6-7H,1,8-9H2,2-5H3,(H2,12,13)/b10-7-
InChIKeyQUHZRYYUDHWXHT-YFHOEESVSA-N
XLogP0.88
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (CID 89170037) is 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is C=C/C=C(C)\N=C(/N)N(C)CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The InChIKey is QUHZRYYUDHWXHT-YFHOEESVSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-7-10(2)13-11(12)15(5)9-8-14(3)4/h6-7H,1,8-9H2,2-5H3,(H2,12,13)/b10-7-.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine has a molecular weight of 210.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is sourced from PubChem (CID 89170037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).