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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Related Compounds

2-methyl-9H-carbazole-1,4-diamine
CID 68823015
N-ethyl-1H-indol-3-amine
CID 22497863
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
CID 68822637
2-(1-amino-3-methyl-9H-carbazol-4-yl)phenol
CID 174504107
5-methyl-11H-benzo[a]carbazole
CID 6454977
3-ethyl-4-hydrazinyl-2-methyl-9H-carbazole-1-carbonitrile
CID 930999
ethyl 4-methyl-9H-carbazole-2-carboxylate
CID 14636527
6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol
CID 68823305
bis(9H-carbazole);propane
CID 90987002
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171

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).