2-(3-methylbut-2-enyl)-1-propylguanidine

C9H19N3 — CID 103517455

IUPAC2-(3-methylbut-2-enyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC=C(C)C
InChIInChI=1S/C9H19N3/c1-4-6-11-9(10)12-7-5-8(2)3/h5H,4,6-7H2,1-3H3,(H3,10,11,12)
InChIKeyRBVYMELDVXRUNQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds4

About 2-(3-methylbut-2-enyl)-1-propylguanidine

2-(3-methylbut-2-enyl)-1-propylguanidine (PubChem CID 103517455) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(3-methylbut-2-enyl)-1-propylguanidine.

Molecular Properties

Compound Name2-(3-methylbut-2-enyl)-1-propylguanidine
PubChem CID103517455
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(3-methylbut-2-enyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC=C(C)C
InChIInChI=1S/C9H19N3/c1-4-6-11-9(10)12-7-5-8(2)3/h5H,4,6-7H2,1-3H3,(H3,10,11,12)
InChIKeyRBVYMELDVXRUNQ-UHFFFAOYSA-N
XLogP1.27
TPSA50.41 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 ≤ 51.27
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'}

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Related Compounds

1-(6-Aminohexyl)-3-(3-methylbut-2-enyl)guanidine
CID 9949085
1-(5-Aminopentyl)-3-(3-methylbut-2-enyl)guanidine
CID 9990774
Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
Pterogynidine
CID 10035557
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
N,N'''-butane-1,4-diylbis[3-(3-methylbut-2-en-1-yl)guanidine]
CID 45266946
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
N-prenylagmatine
CID 25203666
N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
CID 426167
1-(4-Carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
CID 176524139
N,N'-diisopentenylguanidine
CID 91369226

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enyl)-1-propylguanidine?
The IUPAC name of 2-(3-methylbut-2-enyl)-1-propylguanidine (CID 103517455) is 2-(3-methylbut-2-enyl)-1-propylguanidine.
What is the SMILES notation for 2-(3-methylbut-2-enyl)-1-propylguanidine?
The canonical SMILES for 2-(3-methylbut-2-enyl)-1-propylguanidine is CCCN/C(N)=N/CC=C(C)C.
What is the InChIKey of 2-(3-methylbut-2-enyl)-1-propylguanidine?
The InChIKey is RBVYMELDVXRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-6-11-9(10)12-7-5-8(2)3/h5H,4,6-7H2,1-3H3,(H3,10,11,12).
What are the key properties of 2-(3-methylbut-2-enyl)-1-propylguanidine?
2-(3-methylbut-2-enyl)-1-propylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enyl)-1-propylguanidine is sourced from PubChem (CID 103517455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).