1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine

C12H19N5 — CID 123140096

IUPAC1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)CCc1ccccc1
InChIInChI=1S/C12H19N5/c1-15-11(13)16-12(14)17(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H4,13,14,15,16)
InChIKeyQHBAZQKZTZUYGK-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.42
Rot. Bonds3

About 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine

1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine (PubChem CID 123140096) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine
PubChem CID123140096
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)CCc1ccccc1
InChIInChI=1S/C12H19N5/c1-15-11(13)16-12(14)17(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H4,13,14,15,16)
InChIKeyQHBAZQKZTZUYGK-UHFFFAOYSA-N
XLogP0.42
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.42
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'}

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Related Compounds

N-methyl-N-(2-phenylethyl)prop-1-en-2-amine
CID 118670285
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
1-chloro-N-methyl-N-(2-phenylethyl)ethenamine
CID 91113083
1,2-dimethyl-1-(3-phenylmethoxypropyl)guanidine
CID 130767400
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-benzyl-1-methyl-2-(N'-nonylcarbamimidoyl)guanidine;dihydrochloride
CID 86657179
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
CID 77070473
1,2-dimethyl-3-(N'-methylcarbamimidoyl)-1-(3-phenylpropyl)guanidine
CID 123172045
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine?
The IUPAC name of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine (CID 123140096) is 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine?
The canonical SMILES for 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine is C/N=C(\N)N=C(N)N(C)CCc1ccccc1.
What is the InChIKey of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine?
The InChIKey is QHBAZQKZTZUYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-15-11(13)16-12(14)17(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H4,13,14,15,16).
What are the key properties of 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine?
1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine has a molecular weight of 233.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 123140096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).