2-[2-(9H-carbazol-3-yl)ethyl]guanidine

C15H16N4 — CID 145315534

IUPAC2-[2-(9H-carbazol-3-yl)ethyl]guanidine
SMILESNC(N)=NCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H16N4/c16-15(17)18-8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)19-14/h1-6,9,19H,7-8H2,(H4,16,17,18)
InChIKeyJKFWHSLFKFQDOF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.14
Rot. Bonds3

About 2-[2-(9H-carbazol-3-yl)ethyl]guanidine

2-[2-(9H-carbazol-3-yl)ethyl]guanidine (PubChem CID 145315534) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(9H-carbazol-3-yl)ethyl]guanidine
PubChem CID145315534
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[2-(9H-carbazol-3-yl)ethyl]guanidine
SMILESNC(N)=NCCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C15H16N4/c16-15(17)18-8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)19-14/h1-6,9,19H,7-8H2,(H4,16,17,18)
InChIKeyJKFWHSLFKFQDOF-UHFFFAOYSA-N
XLogP2.14
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(9H-carbazol-3-yl)ethyl]guanidine (CID 145315534) is 2-[2-(9H-carbazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(9H-carbazol-3-yl)ethyl]guanidine is NC(N)=NCCc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?
The InChIKey is JKFWHSLFKFQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-15(17)18-8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)19-14/h1-6,9,19H,7-8H2,(H4,16,17,18).
What are the key properties of 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?
2-[2-(9H-carbazol-3-yl)ethyl]guanidine has a molecular weight of 252.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 145315534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).