1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine

C11H19N3 — CID 163660111

IUPAC1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine
SMILESC=C(C)C(=C)N/C(N)=N/C(C)C(=C)C
InChIInChI=1S/C11H19N3/c1-7(2)9(5)13-11(12)14-10(6)8(3)4/h10H,1,3,5H2,2,4,6H3,(H3,12,13,14)
InChIKeyITRCDDPYJDXIBD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.95
Rot. Bonds4

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

1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine (PubChem CID 163660111) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine.

Molecular Properties

Compound Name1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine
PubChem CID163660111
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine
SMILESC=C(C)C(=C)N/C(N)=N/C(C)C(=C)C
InChIInChI=1S/C11H19N3/c1-7(2)9(5)13-11(12)14-10(6)8(3)4/h10H,1,3,5H2,2,4,6H3,(H3,12,13,14)
InChIKeyITRCDDPYJDXIBD-UHFFFAOYSA-N
XLogP1.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.95
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 134423640
5-methyl-6-methylidene-1H-pyrimidin-2-amine
CID 141888739
2-Methyl-1-(3-methylbuta-1,3-dien-2-yl)guanidine
CID 154649252
ethane;N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)carbamimidoyl chloride
CID 156800572
5-methyl-N-[(Z)-2-methylbut-1-enyl]-4-methylidene-2-methylimino-1H-pyrimidin-6-amine
CID 174338529
5-methyl-4-N-[(Z)-2-methylbut-1-enyl]-6-methylidene-1H-pyrimidine-2,4-diamine
CID 174338889

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine?
The IUPAC name of 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine (CID 163660111) is 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine.
What is the SMILES notation for 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine?
The canonical SMILES for 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine is C=C(C)C(=C)N/C(N)=N/C(C)C(=C)C.
What is the InChIKey of 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine?
The InChIKey is ITRCDDPYJDXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7(2)9(5)13-11(12)14-10(6)8(3)4/h10H,1,3,5H2,2,4,6H3,(H3,12,13,14).
What are the key properties of 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine?
1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine has a molecular weight of 193.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbuta-1,3-dien-2-yl)-2-(3-methylbut-3-en-2-yl)guanidine is sourced from PubChem (CID 163660111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).