1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine

C10H23N5 — CID 155006634

IUPAC1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine
SMILESC/N=C(\N)N/C(C)=C/C(C)(C)CNNC
InChIInChI=1S/C10H23N5/c1-8(15-9(11)12-4)6-10(2,3)7-14-13-5/h6,13-14H,7H2,1-5H3,(H3,11,12,15)/b8-6+
InChIKeyJGKGFHMIJXORAO-SOFGYWHQSA-N
MW213.33 g/mol
LogP0.17
Rot. Bonds5

About 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine

1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine (PubChem CID 155006634) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine
PubChem CID155006634
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine
SMILESC/N=C(\N)N/C(C)=C/C(C)(C)CNNC
InChIInChI=1S/C10H23N5/c1-8(15-9(11)12-4)6-10(2,3)7-14-13-5/h6,13-14H,7H2,1-5H3,(H3,11,12,15)/b8-6+
InChIKeyJGKGFHMIJXORAO-SOFGYWHQSA-N
XLogP0.17
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine
CID 160881255
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
1-amino-2-(2,2-dimethylbut-3-enyl)guanidine
CID 130878848
1-(2-hydroxy-2-methylbutyl)-2-methylguanidine
CID 62999063
2-methyl-1-sulfanylguanidine
CID 142184997
1,2-dimethylguanidine;methanamine
CID 159210195
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
1-[(2S)-2-hydroxypropyl]-2-methylguanidine
CID 130678429
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-methylguanidine
CID 148737782
1-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-methylguanidine
CID 109467640
1-(3-ethylpentan-3-yl)-2-methylguanidine
CID 65042338

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine?
The IUPAC name of 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine (CID 155006634) is 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine.
What is the SMILES notation for 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine?
The canonical SMILES for 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine is C/N=C(\N)N/C(C)=C/C(C)(C)CNNC.
What is the InChIKey of 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine?
The InChIKey is JGKGFHMIJXORAO-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H23N5/c1-8(15-9(11)12-4)6-10(2,3)7-14-13-5/h6,13-14H,7H2,1-5H3,(H3,11,12,15)/b8-6+.
What are the key properties of 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine?
1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine has a molecular weight of 213.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-dimethyl-5-(2-methylhydrazinyl)pent-2-en-2-yl]-2-methylguanidine is sourced from PubChem (CID 155006634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).