2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide

C14H24IN3 — CID 111288888

IUPAC2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
SMILESCC/N=C(\NCC)N(C)Cc1ccc(C)cc1.I
InChIInChI=1S/C14H23N3.HI/c1-5-15-14(16-6-2)17(4)11-13-9-7-12(3)8-10-13;/h7-10H,5-6,11H2,1-4H3,(H,15,16);1H
InChIKeyWLDDVRSDQOGJKW-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.03
Rot. Bonds4

About 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide

2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide (PubChem CID 111288888) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
PubChem CID111288888
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
SMILESCC/N=C(\NCC)N(C)Cc1ccc(C)cc1.I
InChIInChI=1S/C14H23N3.HI/c1-5-15-14(16-6-2)17(4)11-13-9-7-12(3)8-10-13;/h7-10H,5-6,11H2,1-4H3,(H,15,16);1H
InChIKeyWLDDVRSDQOGJKW-UHFFFAOYSA-N
XLogP3.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-[(4-bromophenyl)methyl]-2,3-diethyl-1-methylguanidine
CID 111292777
3-ethyl-1-methyl-1-[(4-methylphenyl)methyl]-2-prop-2-ynylguanidine;hydroiodide
CID 111289888
3-ethyl-2-(2-methoxyethyl)-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289253
4-[[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111289196
2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299563
3-ethyl-1-methyl-1-[(4-methylphenyl)methyl]-2-(2-methylsulfonylethyl)guanidine
CID 111289077
N-[2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111288968
3-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289831
3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289151
3-ethyl-1-methyl-1-[(4-methylphenyl)methyl]-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111289025
methyl 5-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]pentanoate;hydroiodide
CID 111288874
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111500772

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide (CID 111288888) is 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide is CC/N=C(\NCC)N(C)Cc1ccc(C)cc1.I.
What is the InChIKey of 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is WLDDVRSDQOGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.HI/c1-5-15-14(16-6-2)17(4)11-13-9-7-12(3)8-10-13;/h7-10H,5-6,11H2,1-4H3,(H,15,16);1H.
What are the key properties of 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide?
2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 361.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111288888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).