2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine

C12H16N4 — CID 25243640

IUPAC2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine
SMILESNC(N)=N/N=C1\[C@H]2[C@@H]3C[C@H]4[C@H]1[C@@H]1[C@H]2C[C@H]3[C@H]41
InChIInChI=1S/C12H16N4/c13-12(14)16-15-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2,(H4,13,14,16)/b15-11+/t3-,4-,5-,6+,7-,8+,9-,10+/m1/s1
InChIKeyJKQDLAOVRNQFNJ-KHSXNNDESA-N
MW216.29 g/mol
LogP0.39
Rot. Bonds1

About 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine

2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine (PubChem CID 25243640) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine
PubChem CID25243640
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine
SMILESNC(N)=N/N=C1\[C@H]2[C@@H]3C[C@H]4[C@H]1[C@@H]1[C@H]2C[C@H]3[C@H]41
InChIInChI=1S/C12H16N4/c13-12(14)16-15-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2,(H4,13,14,16)/b15-11+/t3-,4-,5-,6+,7-,8+,9-,10+/m1/s1
InChIKeyJKQDLAOVRNQFNJ-KHSXNNDESA-N
XLogP0.39
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine (CID 25243640) is 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine is NC(N)=N/N=C1\[C@H]2[C@@H]3C[C@H]4[C@H]1[C@@H]1[C@H]2C[C@H]3[C@H]41.
What is the InChIKey of 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine?
The InChIKey is JKQDLAOVRNQFNJ-KHSXNNDESA-N. The full InChI is InChI=1S/C12H16N4/c13-12(14)16-15-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-10H,1-2H2,(H4,13,14,16)/b15-11+/t3-,4-,5-,6+,7-,8+,9-,10+/m1/s1.
What are the key properties of 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine?
2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine has a molecular weight of 216.29 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(1R,2R,3R,5R,6R,7S,9S,10R)-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]amino]guanidine is sourced from PubChem (CID 25243640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).