2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide

C15H24IN3 — CID 111040778

IUPAC2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC1CC1.I
InChIInChI=1S/C15H23N3.HI/c1-3-12-6-5-7-13(4-2)14(12)18-15(16)17-10-11-8-9-11;/h5-7,11H,3-4,8-10H2,1-2H3,(H3,16,17,18);1H
InChIKeyKZAPESKZRCZCLD-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.57
Rot. Bonds5

About 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide

2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide (PubChem CID 111040778) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
PubChem CID111040778
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC1CC1.I
InChIInChI=1S/C15H23N3.HI/c1-3-12-6-5-7-13(4-2)14(12)18-15(16)17-10-11-8-9-11;/h5-7,11H,3-4,8-10H2,1-2H3,(H3,16,17,18);1H
InChIKeyKZAPESKZRCZCLD-UHFFFAOYSA-N
XLogP3.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.57
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-diethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065335
1-(2,6-diethylphenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine
CID 111803616
1-(2,6-diethylphenyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111081775
1-(2,6-diethylphenyl)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111808189
1-(2,6-diethylphenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111026543
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607
2-(2-butoxyethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111075012
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111057091
2-[2-(2-butoxyethoxy)ethyl]-1-(2,6-diethylphenyl)guanidine
CID 111821789
1-(2,6-diethylphenyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111818460
1-[4-[[amino-(2,6-diethylanilino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060530

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide (CID 111040778) is 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide is CCc1cccc(CC)c1N/C(N)=N/CC1CC1.I.
What is the InChIKey of 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide?
The InChIKey is KZAPESKZRCZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-3-12-6-5-7-13(4-2)14(12)18-15(16)17-10-11-8-9-11;/h5-7,11H,3-4,8-10H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide?
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111040778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).