1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine

C7H19N7 — CID 144561881

IUPAC1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)CCCN(C)C
InChIInChI=1S/C7H19N7/c1-13(2)4-3-5-14(11)7(10)12-6(8)9/h3-5,11H2,1-2H3,(H5,8,9,10,12)
InChIKeyXYOOCZVWOHAJTA-UHFFFAOYSA-N
MW201.28 g/mol
LogP-1.68
Rot. Bonds4

About 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine

1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine (PubChem CID 144561881) has the molecular formula C7H19N7 and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine
PubChem CID144561881
Molecular FormulaC7H19N7
Molecular Weight201.28 g/mol
Exact Mass201.17
IUPAC Name1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)CCCN(C)C
InChIInChI=1S/C7H19N7/c1-13(2)4-3-5-14(11)7(10)12-6(8)9/h3-5,11H2,1-2H3,(H5,8,9,10,12)
InChIKeyXYOOCZVWOHAJTA-UHFFFAOYSA-N
XLogP-1.68
TPSA120.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine 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

5,6-dihydro-4H-pyrimidine-1,2-diamine
CID 9812770
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)hydrazine
CID 17856659
1-Amino-1-propylguanidine
CID 19879838
1-Amino-1-[3-(dimethylamino)propyl]guanidine;dihydrobromide
CID 21620354
1-Amino-1-[3-(dimethylamino)propyl]guanidine
CID 21620355
1-Amino-1-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 23055026
1-Amino-1-[3-(diethylamino)propyl]guanidine
CID 88441627
1-Amino-3-(diaminomethylidene)-1-propylguanidine
CID 89815659
1-Amino-3-(diaminomethylidene)-1-(2-methylpropyl)guanidine;ethane
CID 144561806
1-Amino-3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]guanidine
CID 144561900
1-Amino-3-(diaminomethylidene)-1-propan-2-ylguanidine
CID 144894440
1-Amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
CID 174891232

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine?
The IUPAC name of 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine (CID 144561881) is 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine.
What is the SMILES notation for 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine?
The canonical SMILES for 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine is [H]/N=C(\N=C(N)N)N(N)CCCN(C)C.
What is the InChIKey of 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine?
The InChIKey is XYOOCZVWOHAJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N7/c1-13(2)4-3-5-14(11)7(10)12-6(8)9/h3-5,11H2,1-2H3,(H5,8,9,10,12).
What are the key properties of 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine?
1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine has a molecular weight of 201.28 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(diaminomethylidene)-1-[3-(dimethylamino)propyl]guanidine is sourced from PubChem (CID 144561881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).