2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine

C18H30N6O — CID 175354937

IUPAC2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine
SMILESNC(N)=Nc1ccc(OC2CCCCCCCCC2)c(N=C(N)N)c1
InChIInChI=1S/C18H30N6O/c19-17(20)23-13-10-11-16(15(12-13)24-18(21)22)25-14-8-6-4-2-1-3-5-7-9-14/h10-12,14H,1-9H2,(H4,19,20,23)(H4,21,22,24)
InChIKeyLWVRMVRGFPCWJN-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.77
Rot. Bonds4

About 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine

2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine (PubChem CID 175354937) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine.

Molecular Properties

Compound Name2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine
PubChem CID175354937
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine
SMILESNC(N)=Nc1ccc(OC2CCCCCCCCC2)c(N=C(N)N)c1
InChIInChI=1S/C18H30N6O/c19-17(20)23-13-10-11-16(15(12-13)24-18(21)22)25-14-8-6-4-2-1-3-5-7-9-14/h10-12,14H,1-9H2,(H4,19,20,23)(H4,21,22,24)
InChIKeyLWVRMVRGFPCWJN-UHFFFAOYSA-N
XLogP2.77
TPSA138.03 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]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-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine?
The IUPAC name of 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine (CID 175354937) is 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine.
What is the SMILES notation for 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine?
The canonical SMILES for 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine is NC(N)=Nc1ccc(OC2CCCCCCCCC2)c(N=C(N)N)c1.
What is the InChIKey of 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine?
The InChIKey is LWVRMVRGFPCWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c19-17(20)23-13-10-11-16(15(12-13)24-18(21)22)25-14-8-6-4-2-1-3-5-7-9-14/h10-12,14H,1-9H2,(H4,19,20,23)(H4,21,22,24).
What are the key properties of 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine?
2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine has a molecular weight of 346.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclodecyloxy-5-(diaminomethylideneamino)phenyl]guanidine is sourced from PubChem (CID 175354937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).