1,3-dicyclohexyl-2-tridecylguanidine

C26H51N3 — CID 54202510

IUPAC1,3-dicyclohexyl-2-tridecylguanidine
SMILESCCCCCCCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C26H51N3/c1-2-3-4-5-6-7-8-9-10-11-18-23-27-26(28-24-19-14-12-15-20-24)29-25-21-16-13-17-22-25/h24-25H,2-23H2,1H3,(H2,27,28,29)
InChIKeyPQGCKUCGLGVOQF-UHFFFAOYSA-N
MW405.72 g/mol
LogP7.50
Rot. Bonds14

About 1,3-dicyclohexyl-2-tridecylguanidine

1,3-dicyclohexyl-2-tridecylguanidine (PubChem CID 54202510) has the molecular formula C26H51N3 and a molecular weight of 405.72 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-tridecylguanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-tridecylguanidine
PubChem CID54202510
Molecular FormulaC26H51N3
Molecular Weight405.72 g/mol
Exact Mass405.41
IUPAC Name1,3-dicyclohexyl-2-tridecylguanidine
SMILESCCCCCCCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C26H51N3/c1-2-3-4-5-6-7-8-9-10-11-18-23-27-26(28-24-19-14-12-15-20-24)29-25-21-16-13-17-22-25/h24-25H,2-23H2,1H3,(H2,27,28,29)
InChIKeyPQGCKUCGLGVOQF-UHFFFAOYSA-N
XLogP7.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.72
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

n,n'-Dicyclohexylguanidine
CID 407725
Amines
CID 139106940
1,3-Dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1,3-Dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
N,N''-Dicyclohexyl-N''''-cyclopropyl-guanidine
CID 44318068
N,N'-dicyclohexylpiperidine-1-carboximidamide
CID 10379543
1,2,3-Tricyclohexylguanidine
CID 316544
1-Butyl-2,3-dicyclohexyl-1-methylguanidine
CID 58238472
1,3-Dicyclohexyl-2-octylguanidine
CID 14771736
1-Cyano-2,3-dicyclohexylguanidine
CID 2825084
1,2-Didecylguanidine
CID 23103964
2,3-Dicyclohexyl-1,1-dimethylguanidine
CID 14423437

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-tridecylguanidine?
The IUPAC name of 1,3-dicyclohexyl-2-tridecylguanidine (CID 54202510) is 1,3-dicyclohexyl-2-tridecylguanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-tridecylguanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-tridecylguanidine is CCCCCCCCCCCCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-tridecylguanidine?
The InChIKey is PQGCKUCGLGVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N3/c1-2-3-4-5-6-7-8-9-10-11-18-23-27-26(28-24-19-14-12-15-20-24)29-25-21-16-13-17-22-25/h24-25H,2-23H2,1H3,(H2,27,28,29).
What are the key properties of 1,3-dicyclohexyl-2-tridecylguanidine?
1,3-dicyclohexyl-2-tridecylguanidine has a molecular weight of 405.72 g/mol, XLogP of 7.50, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-tridecylguanidine is sourced from PubChem (CID 54202510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).