1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine

C18H21N5 — CID 71532617

IUPAC1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine
SMILESCCC/N=C(\NC#N)Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H21N5/c1-2-11-20-18(21-12-19)23-17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyBQKAZJQKCOOPOX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.36
Rot. Bonds3

About 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine

1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine (PubChem CID 71532617) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine.

Molecular Properties

Compound Name1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine
PubChem CID71532617
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine
SMILESCCC/N=C(\NC#N)Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H21N5/c1-2-11-20-18(21-12-19)23-17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyBQKAZJQKCOOPOX-UHFFFAOYSA-N
XLogP3.36
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine?
The IUPAC name of 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine (CID 71532617) is 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine.
What is the SMILES notation for 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine?
The canonical SMILES for 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine is CCC/N=C(\NC#N)Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine?
The InChIKey is BQKAZJQKCOOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-11-20-18(21-12-19)23-17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine?
1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine has a molecular weight of 307.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-propyl-3-(1,2,3,4-tetrahydroacridin-9-yl)guanidine is sourced from PubChem (CID 71532617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).