1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine

C9H16N4 — CID 155719816

IUPAC1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
SMILESC=C(C)CCCN/C(=N/C)NC#N
InChIInChI=1S/C9H16N4/c1-8(2)5-4-6-12-9(11-3)13-7-10/h1,4-6H2,2-3H3,(H2,11,12,13)
InChIKeyZGYSHEKMAVRQEH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.99
Rot. Bonds4

About 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine

1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine (PubChem CID 155719816) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
PubChem CID155719816
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
SMILESC=C(C)CCCN/C(=N/C)NC#N
InChIInChI=1S/C9H16N4/c1-8(2)5-4-6-12-9(11-3)13-7-10/h1,4-6H2,2-3H3,(H2,11,12,13)
InChIKeyZGYSHEKMAVRQEH-UHFFFAOYSA-N
XLogP0.99
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
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
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-(4-Amino-5-methylhex-5-enyl)-2-methylguanidine
CID 169920068
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 109482955
1,2-Dimethyl-1-pent-4-enyl-3-pentylguanidine
CID 109495987
3-Ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine
CID 109496524

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine?
The IUPAC name of 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine (CID 155719816) is 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine is C=C(C)CCCN/C(=N/C)NC#N.
What is the InChIKey of 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine?
The InChIKey is ZGYSHEKMAVRQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(2)5-4-6-12-9(11-3)13-7-10/h1,4-6H2,2-3H3,(H2,11,12,13).
What are the key properties of 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine?
1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine has a molecular weight of 180.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine is sourced from PubChem (CID 155719816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).