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

C9H23N3 — CID 142877495

IUPAC1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
SMILESC=C(C)CCCN/C(=N/C)NC.[H][H].[H][H]
InChIInChI=1S/C9H19N3.2H2/c1-8(2)6-5-7-12-9(10-3)11-4;;/h1,5-7H2,2-4H3,(H2,10,11,12);2*1H
InChIKeyDVGLHVYDFRFHTC-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.63
Rot. Bonds4

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

1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen (PubChem CID 142877495) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen.

Molecular Properties

Compound Name1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
PubChem CID142877495
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
SMILESC=C(C)CCCN/C(=N/C)NC.[H][H].[H][H]
InChIInChI=1S/C9H19N3.2H2/c1-8(2)6-5-7-12-9(10-3)11-4;;/h1,5-7H2,2-4H3,(H2,10,11,12);2*1H
InChIKeyDVGLHVYDFRFHTC-UHFFFAOYSA-N
XLogP1.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.63
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-Cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
CID 155719816
1-(4-Amino-5-methylhex-5-enyl)-2-methylguanidine
CID 169920068

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen?
The IUPAC name of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen (CID 142877495) is 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen.
What is the SMILES notation for 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen?
The canonical SMILES for 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen is C=C(C)CCCN/C(=N/C)NC.[H][H].[H][H].
What is the InChIKey of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen?
The InChIKey is DVGLHVYDFRFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.2H2/c1-8(2)6-5-7-12-9(10-3)11-4;;/h1,5-7H2,2-4H3,(H2,10,11,12);2*1H.
What are the key properties of 1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen?
1,2-dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen has a molecular weight of 173.30 g/mol, XLogP of 1.63, 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;molecular hydrogen is sourced from PubChem (CID 142877495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).