3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride

C12H18Cl3N5 — CID 121003349

IUPAC3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N(Cc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C12H17Cl2N5.ClH/c1-7(2)19(12(17)18-11(15)16)6-8-3-4-9(13)5-10(8)14;/h3-5,7H,6H2,1-2H3,(H5,15,16,17,18);1H
InChIKeyNVEWRFNTIXWUHB-UHFFFAOYSA-N
MW338.67 g/mol
LogP2.83
Rot. Bonds3

About 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride

3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride (PubChem CID 121003349) has the molecular formula C12H18Cl3N5 and a molecular weight of 338.67 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride
PubChem CID121003349
Molecular FormulaC12H18Cl3N5
Molecular Weight338.67 g/mol
Exact Mass337.06
IUPAC Name3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N(Cc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C12H17Cl2N5.ClH/c1-7(2)19(12(17)18-11(15)16)6-8-3-4-9(13)5-10(8)14;/h3-5,7H,6H2,1-2H3,(H5,15,16,17,18);1H
InChIKeyNVEWRFNTIXWUHB-UHFFFAOYSA-N
XLogP2.83
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.67
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine
CID 23348813
1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;hydrochloride
CID 159416962
1-(4-chloro-2-methylphenyl)-3-(diaminomethylidene)-1-propylguanidine
CID 23348999
3-(diaminomethylidene)-1,1-bis(3,5-dichlorophenyl)guanidine
CID 118143777
(2,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
CID 12526767
ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride
CID 12689988
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
CID 66568195
ethyl 2-[[2-(2,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 19778949
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
(2,4-dichloro-N-[N-(diaminomethylidene)carbamimidoyl]anilino) 2,3,4,5,6-pentahydroxyhexanoate
CID 141120225

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride?
The IUPAC name of 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride (CID 121003349) is 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride.
What is the SMILES notation for 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride?
The canonical SMILES for 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride is Cl.[H]/N=C(\N=C(N)N)N(Cc1ccc(Cl)cc1Cl)C(C)C.
What is the InChIKey of 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride?
The InChIKey is NVEWRFNTIXWUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N5.ClH/c1-7(2)19(12(17)18-11(15)16)6-8-3-4-9(13)5-10(8)14;/h3-5,7H,6H2,1-2H3,(H5,15,16,17,18);1H.
What are the key properties of 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride?
3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride has a molecular weight of 338.67 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride is sourced from PubChem (CID 121003349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).