3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione

C19H17N3O2 — CID 167951604

IUPAC3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione
SMILESCCn1c2ccccc2c2cc(CNc3c(N)c(=O)c3=O)ccc21
InChIInChI=1S/C19H17N3O2/c1-2-22-14-6-4-3-5-12(14)13-9-11(7-8-15(13)22)10-21-17-16(20)18(23)19(17)24/h3-9,21H,2,10,20H2,1H3
InChIKeyIWLVHTBJKOFZFO-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione

3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione (PubChem CID 167951604) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione
PubChem CID167951604
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione
SMILESCCn1c2ccccc2c2cc(CNc3c(N)c(=O)c3=O)ccc21
InChIInChI=1S/C19H17N3O2/c1-2-22-14-6-4-3-5-12(14)13-9-11(7-8-15(13)22)10-21-17-16(20)18(23)19(17)24/h3-9,21H,2,10,20H2,1H3
InChIKeyIWLVHTBJKOFZFO-UHFFFAOYSA-N
XLogP2.60
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide
CID 154794555
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
2-[(9-ethylcarbazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 4722572
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4722587
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione (CID 167951604) is 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione is CCn1c2ccccc2c2cc(CNc3c(N)c(=O)c3=O)ccc21.
What is the InChIKey of 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is IWLVHTBJKOFZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-22-14-6-4-3-5-12(14)13-9-11(7-8-15(13)22)10-21-17-16(20)18(23)19(17)24/h3-9,21H,2,10,20H2,1H3.
What are the key properties of 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione?
3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 319.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 167951604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).