1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine

C15H17N3 — CID 68822595

IUPAC1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine
SMILESCCNc1cc(C)c(N)c2c1[nH]c1ccccc12
InChIInChI=1S/C15H17N3/c1-3-17-12-8-9(2)14(16)13-10-6-4-5-7-11(10)18-15(12)13/h4-8,17-18H,3,16H2,1-2H3
InChIKeyVRDJZSFVTXHDIZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.64
Rot. Bonds2

About 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine

1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine (PubChem CID 68822595) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine
PubChem CID68822595
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine
SMILESCCNc1cc(C)c(N)c2c1[nH]c1ccccc12
InChIInChI=1S/C15H17N3/c1-3-17-12-8-9(2)14(16)13-10-6-4-5-7-11(10)18-15(12)13/h4-8,17-18H,3,16H2,1-2H3
InChIKeyVRDJZSFVTXHDIZ-UHFFFAOYSA-N
XLogP3.64
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine?
The IUPAC name of 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine (CID 68822595) is 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine?
The canonical SMILES for 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine is CCNc1cc(C)c(N)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine?
The InChIKey is VRDJZSFVTXHDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-17-12-8-9(2)14(16)13-10-6-4-5-7-11(10)18-15(12)13/h4-8,17-18H,3,16H2,1-2H3.
What are the key properties of 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine?
1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine is sourced from PubChem (CID 68822595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).