2-[(E)-(2-heptylcyclopentylidene)amino]guanidine

C13H26N4 — CID 24859394

IUPAC2-[(E)-(2-heptylcyclopentylidene)amino]guanidine
SMILESCCCCCCCC1CCC/C1=N\N=C(N)N
InChIInChI=1S/C13H26N4/c1-2-3-4-5-6-8-11-9-7-10-12(11)16-17-13(14)15/h11H,2-10H2,1H3,(H4,14,15,17)/b16-12+
InChIKeyQLKRJKQVJWKMHS-FOWTUZBSSA-N
MW238.38 g/mol
LogP2.78
Rot. Bonds7

About 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine

2-[(E)-(2-heptylcyclopentylidene)amino]guanidine (PubChem CID 24859394) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-heptylcyclopentylidene)amino]guanidine
PubChem CID24859394
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-[(E)-(2-heptylcyclopentylidene)amino]guanidine
SMILESCCCCCCCC1CCC/C1=N\N=C(N)N
InChIInChI=1S/C13H26N4/c1-2-3-4-5-6-8-11-9-7-10-12(11)16-17-13(14)15/h11H,2-10H2,1H3,(H4,14,15,17)/b16-12+
InChIKeyQLKRJKQVJWKMHS-FOWTUZBSSA-N
XLogP2.78
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-[(4-Propylcyclohexylidene)amino]guanidine
CID 3890761
2-[(E)-(2-methylcyclohexylidene)amino]guanidine
CID 9578645
2-[(Z)-[2-(2-fluoroethyl)cyclopentylidene]amino]guanidine
CID 133677842
diamino[(2E)-2-(1-cyclododecylethylidene)hydrazinyl]methylium
CID 9594038
2-[(Z)-(2-methylcyclohexylidene)amino]guanidine
CID 5493421
2-[(E)-(2-cyclopentylcyclopentylidene)amino]guanidine
CID 24859545
(E)-1-cyclopentylbutylidenehydrazine
CID 89059192
1-Cyclopentylheptan-1-imine
CID 91078727
1-Cyclopentylhexan-1-imine
CID 91136727
2-(2,6-Dimethylheptan-4-ylideneamino)guanidine
CID 115571090
(E)-1-cyclopentylpropylidenehydrazine
CID 122659240
2-[(Z)-(2-cyclopentylcyclopentylidene)amino]guanidine
CID 123155497

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine?
The IUPAC name of 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine (CID 24859394) is 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine.
What is the SMILES notation for 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine?
The canonical SMILES for 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine is CCCCCCCC1CCC/C1=N\N=C(N)N.
What is the InChIKey of 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine?
The InChIKey is QLKRJKQVJWKMHS-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H26N4/c1-2-3-4-5-6-8-11-9-7-10-12(11)16-17-13(14)15/h11H,2-10H2,1H3,(H4,14,15,17)/b16-12+.
What are the key properties of 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine?
2-[(E)-(2-heptylcyclopentylidene)amino]guanidine has a molecular weight of 238.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-heptylcyclopentylidene)amino]guanidine is sourced from PubChem (CID 24859394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).