2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine

C13H17Cl2N3 — CID 57050729

IUPAC2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(=N\CC1CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N3/c1-18(2)13(16-8-9-6-7-9)17-12-10(14)4-3-5-11(12)15/h3-5,9H,6-8H2,1-2H3,(H,16,17)
InChIKeyHRLYGPVZXJVMCT-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.73
Rot. Bonds3

About 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine

2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine (PubChem CID 57050729) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine
PubChem CID57050729
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(=N\CC1CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N3/c1-18(2)13(16-8-9-6-7-9)17-12-10(14)4-3-5-11(12)15/h3-5,9H,6-8H2,1-2H3,(H,16,17)
InChIKeyHRLYGPVZXJVMCT-UHFFFAOYSA-N
XLogP3.73
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.73
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'}

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Related Compounds

1-[N-(2-chloro-6-fluorophenyl)-N'-(cyclopropylmethyl)carbamimidoyl]-3-methylurea
CID 70524031
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
N-(2,6-dichlorophenyl)-2-[(dimethylamino)methyl]pyrrolidine-1-carbothioamide
CID 63401793
2-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55411232
4-[(2-amino-6-chloroanilino)methyl]cyclohexan-1-ol
CID 106120080
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
CID 4674154

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine (CID 57050729) is 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine is CN(C)/C(=N\CC1CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine?
The InChIKey is HRLYGPVZXJVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3/c1-18(2)13(16-8-9-6-7-9)17-12-10(14)4-3-5-11(12)15/h3-5,9H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine?
2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine has a molecular weight of 286.21 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-(2,6-dichlorophenyl)-1,1-dimethylguanidine is sourced from PubChem (CID 57050729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).