2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine

C7H13N3 — CID 154649252

IUPAC2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine
SMILESC=C(C)C(=C)N/C(N)=N/C
InChIInChI=1S/C7H13N3/c1-5(2)6(3)10-7(8)9-4/h1,3H2,2,4H3,(H3,8,9,10)
InChIKeyAQOWEWVZTOGSAY-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.61
Rot. Bonds2

About 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine

2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine (PubChem CID 154649252) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine
PubChem CID154649252
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine
SMILESC=C(C)C(=C)N/C(N)=N/C
InChIInChI=1S/C7H13N3/c1-5(2)6(3)10-7(8)9-4/h1,3H2,2,4H3,(H3,8,9,10)
InChIKeyAQOWEWVZTOGSAY-UHFFFAOYSA-N
XLogP0.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.61
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

N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylcarbamimidoyl chloride
CID 144829310
5-methyl-6-methylidene-1H-pyrimidine-2,4-diamine
CID 18334373
N'-methyl-N-(3-methylidenepent-1-en-2-yl)carbamimidoyl chloride
CID 123219620
N,5,6-trimethyl-4-methylidene-1H-pyrimidin-2-imine
CID 137123599
4,5-dimethyl-6-methylidene-1H-pyrimidin-2-amine
CID 138506381
5-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 141888739
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide
CID 144711369
1-But-1-en-2-yl-2-methylguanidine
CID 156486881
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)carbamimidoyl chloride
CID 156490862
ethane;N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)carbamimidoyl chloride
CID 156800572
1-(3-Methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine
CID 163660111
4-N,5-dimethyl-6-methylidene-1H-pyrimidine-2,4-diamine
CID 167473696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine?
The IUPAC name of 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine (CID 154649252) is 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine?
The canonical SMILES for 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine is C=C(C)C(=C)N/C(N)=N/C.
What is the InChIKey of 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine?
The InChIKey is AQOWEWVZTOGSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)6(3)10-7(8)9-4/h1,3H2,2,4H3,(H3,8,9,10).
What are the key properties of 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine?
2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine has a molecular weight of 139.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine is sourced from PubChem (CID 154649252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).