1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine

C12H28N10 — CID 176535600

IUPAC1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine
SMILESCCCCCCC/N=C(\N)NC(N)=NNC(N)=N/C(N)=N/C
InChIInChI=1S/C12H28N10/c1-3-4-5-6-7-8-18-10(14)20-12(16)22-21-11(15)19-9(13)17-2/h3-8H2,1-2H3,(H5,13,15,17,19,21)(H5,14,16,18,20,22)
InChIKeyRNERPSGJZDKYSA-UHFFFAOYSA-N
MW312.43 g/mol
LogP-1.06
Rot. Bonds7

About 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine

1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine (PubChem CID 176535600) has the molecular formula C12H28N10 and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine.

Molecular Properties

Compound Name1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine
PubChem CID176535600
Molecular FormulaC12H28N10
Molecular Weight312.43 g/mol
Exact Mass312.25
IUPAC Name1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine
SMILESCCCCCCC/N=C(\N)NC(N)=NNC(N)=N/C(N)=N/C
InChIInChI=1S/C12H28N10/c1-3-4-5-6-7-8-18-10(14)20-12(16)22-21-11(15)19-9(13)17-2/h3-8H2,1-2H3,(H5,13,15,17,19,21)(H5,14,16,18,20,22)
InChIKeyRNERPSGJZDKYSA-UHFFFAOYSA-N
XLogP-1.06
TPSA177.58 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 5-1.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine 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

1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
(N'-hexylcarbamimidoyl)urea
CID 87601330
heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
CID 155716609
1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-ethyl-2-nonylguanidine
CID 111034740
1-(N'-hexylcarbamimidoyl)-2-(2,4,4-trimethylpentan-2-yl)guanidine
CID 134103287
1-cyclohexyl-2-octylguanidine
CID 113337391
2-nonyl-1-propan-2-ylguanidine
CID 111034727
(N'-butylcarbamimidoyl)urea
CID 10975769
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508

Frequently Asked Questions

What is the IUPAC name of 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine?
The IUPAC name of 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine (CID 176535600) is 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine.
What is the SMILES notation for 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine?
The canonical SMILES for 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine is CCCCCCC/N=C(\N)NC(N)=NNC(N)=N/C(N)=N/C.
What is the InChIKey of 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine?
The InChIKey is RNERPSGJZDKYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N10/c1-3-4-5-6-7-8-18-10(14)20-12(16)22-21-11(15)19-9(13)17-2/h3-8H2,1-2H3,(H5,13,15,17,19,21)(H5,14,16,18,20,22).
What are the key properties of 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine?
1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine has a molecular weight of 312.43 g/mol, XLogP of -1.06, 7 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[2-[amino-[(N'-heptylcarbamimidoyl)amino]methylidene]hydrazinyl]methylidene]-2-methylguanidine is sourced from PubChem (CID 176535600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).