1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine

C9H19N3 — CID 131097837

IUPAC1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine
SMILESC/N=C(\NC)NCCC=C(C)C
InChIInChI=1S/C9H19N3/c1-8(2)6-5-7-12-9(10-3)11-4/h6H,5,7H2,1-4H3,(H2,10,11,12)
InChIKeyFEQUTHYQSNHISA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.14
Rot. Bonds3

About 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine

1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine (PubChem CID 131097837) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine
PubChem CID131097837
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine
SMILESC/N=C(\NC)NCCC=C(C)C
InChIInChI=1S/C9H19N3/c1-8(2)6-5-7-12-9(10-3)11-4/h6H,5,7H2,1-4H3,(H2,10,11,12)
InChIKeyFEQUTHYQSNHISA-UHFFFAOYSA-N
XLogP1.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pterogynidine
CID 10035557
Nitensidine A
CID 10246147
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
1,2-Bis(3,7-dimethylocta-2,6-dienyl)guanidine
CID 162820217
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
N,N'-diisopentenylguanidine
CID 91369226
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450
1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111986501
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986505
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine (CID 131097837) is 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine is C/N=C(\NC)NCCC=C(C)C.
What is the InChIKey of 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine?
The InChIKey is FEQUTHYQSNHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)6-5-7-12-9(10-3)11-4/h6H,5,7H2,1-4H3,(H2,10,11,12).
What are the key properties of 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine?
1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine has a molecular weight of 169.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(4-methylpent-3-enyl)guanidine is sourced from PubChem (CID 131097837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).