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

C9H19N3 — CID 142877496

IUPAC1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine
SMILESC=C(C)CCCN/C(=N/C)NC
InChIInChI=1S/C9H19N3/c1-8(2)6-5-7-12-9(10-3)11-4/h1,5-7H2,2-4H3,(H2,10,11,12)
InChIKeyAJGPBZSEKPHKCV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.14
Rot. Bonds4

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

1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine (PubChem CID 142877496) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine
PubChem CID142877496
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine
SMILESC=C(C)CCCN/C(=N/C)NC
InChIInChI=1S/C9H19N3/c1-8(2)6-5-7-12-9(10-3)11-4/h1,5-7H2,2-4H3,(H2,10,11,12)
InChIKeyAJGPBZSEKPHKCV-UHFFFAOYSA-N
XLogP1.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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

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-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
1-(5-Aminopentyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780048
1-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
N'-(2-iminoethyl)-N-(4-methylpent-4-enyl)methanimidamide
CID 123888400
2-Methyl-1-(3-methylbut-3-enyl)guanidine
CID 130948714
1-(4,6-Dimethyl-5-methylideneheptyl)-2-methylguanidine
CID 134277371
6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 137154658
1,2-Dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
CID 142877495
1-Cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
CID 155719816

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine (CID 142877496) is 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine is C=C(C)CCCN/C(=N/C)NC.
What is the InChIKey of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine?
The InChIKey is AJGPBZSEKPHKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)6-5-7-12-9(10-3)11-4/h1,5-7H2,2-4H3,(H2,10,11,12).
What are the key properties of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine?
1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine has a molecular weight of 169.27 g/mol, XLogP of 1.14, 4 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-4-enyl)guanidine is sourced from PubChem (CID 142877496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).