2-methyl-9H-carbazole-1,4-diamine

C13H13N3 — CID 68823015

IUPAC2-methyl-9H-carbazole-1,4-diamine
SMILESCc1cc(N)c2c([nH]c3ccccc32)c1N
InChIInChI=1S/C13H13N3/c1-7-6-9(14)11-8-4-2-3-5-10(8)16-13(11)12(7)15/h2-6,16H,14-15H2,1H3
InChIKeyNJQSHISDJKXJBM-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.79
Rot. Bonds

About 2-methyl-9H-carbazole-1,4-diamine

2-methyl-9H-carbazole-1,4-diamine (PubChem CID 68823015) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-methyl-9H-carbazole-1,4-diamine.

Molecular Properties

Compound Name2-methyl-9H-carbazole-1,4-diamine
PubChem CID68823015
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-methyl-9H-carbazole-1,4-diamine
SMILESCc1cc(N)c2c([nH]c3ccccc32)c1N
InChIInChI=1S/C13H13N3/c1-7-6-9(14)11-8-4-2-3-5-10(8)16-13(11)12(7)15/h2-6,16H,14-15H2,1H3
InChIKeyNJQSHISDJKXJBM-UHFFFAOYSA-N
XLogP2.79
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.79
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-(1-amino-3-methyl-9H-carbazol-4-yl)phenol
CID 174504107
1-N-ethyl-3-methyl-9H-carbazole-1,4-diamine
CID 68822595
6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol
CID 68823305
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
5-methyl-11H-benzo[a]carbazole
CID 6454977
3,4-dimethyl-9H-carbazole-1-carbonitrile
CID 101496372
2,5-dimethyl-10H-thieno[2,3-a]carbazole
CID 86045135
3-methyldibenzofuran-1,4-diamine
CID 68822096
2,3,5-trimethyl-6H-thieno[3,2-c]carbazole
CID 11448489
6-methyl-11H-benzo[a]carbazol-3-ol
CID 11311198
14,29-diamino-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone
CID 22280983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9H-carbazole-1,4-diamine?
The IUPAC name of 2-methyl-9H-carbazole-1,4-diamine (CID 68823015) is 2-methyl-9H-carbazole-1,4-diamine.
What is the SMILES notation for 2-methyl-9H-carbazole-1,4-diamine?
The canonical SMILES for 2-methyl-9H-carbazole-1,4-diamine is Cc1cc(N)c2c([nH]c3ccccc32)c1N.
What is the InChIKey of 2-methyl-9H-carbazole-1,4-diamine?
The InChIKey is NJQSHISDJKXJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-7-6-9(14)11-8-4-2-3-5-10(8)16-13(11)12(7)15/h2-6,16H,14-15H2,1H3.
What are the key properties of 2-methyl-9H-carbazole-1,4-diamine?
2-methyl-9H-carbazole-1,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 2.79, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9H-carbazole-1,4-diamine is sourced from PubChem (CID 68823015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).