2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide

C16H26IN3 — CID 111587778

IUPAC2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESCC=CCCN/C(=N\C)NCC(C)c1ccccc1.I
InChIInChI=1S/C16H25N3.HI/c1-4-5-9-12-18-16(17-3)19-13-14(2)15-10-7-6-8-11-15;/h4-8,10-11,14H,9,12-13H2,1-3H3,(H2,17,18,19);1H
InChIKeyHGRMHWJPPWTXPX-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.54
Rot. Bonds6

About 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide

2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111587778) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111587778
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide
SMILESCC=CCCN/C(=N\C)NCC(C)c1ccccc1.I
InChIInChI=1S/C16H25N3.HI/c1-4-5-9-12-18-16(17-3)19-13-14(2)15-10-7-6-8-11-15;/h4-8,10-11,14H,9,12-13H2,1-3H3,(H2,17,18,19);1H
InChIKeyHGRMHWJPPWTXPX-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.54
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3-methylsulfanylpropyl)-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111785314
1-(2-ethylsulfonylethyl)-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343040
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 110953981
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
CID 110953982
1-(3-butoxypropyl)-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111239504
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342565
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342891
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342342
ethyl 4-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]butanoate
CID 111342173
2-methyl-1-(2-phenylpropyl)-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111516440
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342922
2-chloro-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111342219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide (CID 111587778) is 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide is CC=CCCN/C(=N\C)NCC(C)c1ccccc1.I.
What is the InChIKey of 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is HGRMHWJPPWTXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-4-5-9-12-18-16(17-3)19-13-14(2)15-10-7-6-8-11-15;/h4-8,10-11,14H,9,12-13H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide?
2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pent-3-enyl-3-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111587778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).