1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride

C13H20ClN5 — CID 162334537

IUPAC1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H19N5.ClH/c14-12(15)18-13(16)17-8-9-5-6-10-3-1-2-4-11(10)7-9;/h5-7H,1-4,8H2,(H6,14,15,16,17,18);1H
InChIKeyAPVDQERSRDUPSV-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.08
Rot. Bonds2

About 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride (PubChem CID 162334537) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride
PubChem CID162334537
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H19N5.ClH/c14-12(15)18-13(16)17-8-9-5-6-10-3-1-2-4-11(10)7-9;/h5-7H,1-4,8H2,(H6,14,15,16,17,18);1H
InChIKeyAPVDQERSRDUPSV-UHFFFAOYSA-N
XLogP1.08
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.08
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 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;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

2-(1,3-benzodioxol-5-ylmethyl)-1-(diaminomethylidene)guanidine;hydrochloride
CID 18950021
2-[(4-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11971697
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propan-2-ylguanidine
CID 111071222
2-[(3-bromophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 23637934
6-(nitrosomethyl)-1,2,3,4-tetrahydronaphthalene
CID 90921916
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3,5-dimethylphenyl)guanidine
CID 111071214
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
2-[(3-chloro-4-ethoxyphenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11957305
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
5-(nitrosomethyl)-2,3-dihydro-1H-indene
CID 91520615
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
1-(diaminomethylidene)-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 83035929

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride (CID 162334537) is 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N/Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride?
The InChIKey is APVDQERSRDUPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.ClH/c14-12(15)18-13(16)17-8-9-5-6-10-3-1-2-4-11(10)7-9;/h5-7H,1-4,8H2,(H6,14,15,16,17,18);1H.
What are the key properties of 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride is sourced from PubChem (CID 162334537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).