1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde

C16H17N3O — CID 57216712

IUPAC1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde
SMILESCCn1c2ccccc2c2cc(C=O)cc(N(C)N)c21
InChIInChI=1S/C16H17N3O/c1-3-19-14-7-5-4-6-12(14)13-8-11(10-20)9-15(16(13)19)18(2)17/h4-10H,3,17H2,1-2H3
InChIKeyMBIFSTPOCGIMQN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.94
Rot. Bonds3

About 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde

1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde (PubChem CID 57216712) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde
PubChem CID57216712
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde
SMILESCCn1c2ccccc2c2cc(C=O)cc(N(C)N)c21
InChIInChI=1S/C16H17N3O/c1-3-19-14-7-5-4-6-12(14)13-8-11(10-20)9-15(16(13)19)18(2)17/h4-10H,3,17H2,1-2H3
InChIKeyMBIFSTPOCGIMQN-UHFFFAOYSA-N
XLogP2.94
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethylbenzo[b]carbazole-6-carbaldehyde
CID 14770234
9-ethylcarbazole-2,3-dicarbaldehyde
CID 174480322
9-ethylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373637
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
9-ethylpyrido[3,4-b]indole-3-carbaldehyde
CID 58443257
9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde
CID 156767860
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 122594993
1-ethyl-3-fluoroindole-2-carbaldehyde
CID 89272565
9-octylcarbazole-2-carbaldehyde
CID 71623415
6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
CID 18931899
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
9-ethyl-3-(2-nitroethenyl)carbazole
CID 134120826

Frequently Asked Questions

What is the IUPAC name of 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde?
The IUPAC name of 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde (CID 57216712) is 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde.
What is the SMILES notation for 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde?
The canonical SMILES for 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde is CCn1c2ccccc2c2cc(C=O)cc(N(C)N)c21.
What is the InChIKey of 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde?
The InChIKey is MBIFSTPOCGIMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-19-14-7-5-4-6-12(14)13-8-11(10-20)9-15(16(13)19)18(2)17/h4-10H,3,17H2,1-2H3.
What are the key properties of 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde?
1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)amino]-9-ethylcarbazole-3-carbaldehyde is sourced from PubChem (CID 57216712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).