2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium

C20H29N3+2 — CID 6937648

IUPAC2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium
SMILESCCn1c2ccccc2c2cc(C[NH+](C)CC[NH+](C)C)ccc21
InChIInChI=1S/C20H27N3/c1-5-23-19-9-7-6-8-17(19)18-14-16(10-11-20(18)23)15-22(4)13-12-21(2)3/h6-11,14H,5,12-13,15H2,1-4H3/p+2
InChIKeyLKMBQIHFVOGPTF-UHFFFAOYSA-P
MW311.47 g/mol
LogP0.97
Rot. Bonds6

About 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium

2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium (PubChem CID 6937648) has the molecular formula C20H29N3+2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium.

Molecular Properties

Compound Name2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium
PubChem CID6937648
Molecular FormulaC20H29N3+2
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium
SMILESCCn1c2ccccc2c2cc(C[NH+](C)CC[NH+](C)C)ccc21
InChIInChI=1S/C20H27N3/c1-5-23-19-9-7-6-8-17(19)18-14-16(10-11-20(18)23)15-22(4)13-12-21(2)3/h6-11,14H,5,12-13,15H2,1-4H3/p+2
InChIKeyLKMBQIHFVOGPTF-UHFFFAOYSA-P
XLogP0.97
TPSA13.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
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]cyclopentanamine;hydrochloride
CID 17331028
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
N-[(9-ethylcarbazol-3-yl)methyl]adamantan-1-amine
CID 2852735
2-[(9-ethylcarbazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 4722572
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium?
The IUPAC name of 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium (CID 6937648) is 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium.
What is the SMILES notation for 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium?
The canonical SMILES for 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium is CCn1c2ccccc2c2cc(C[NH+](C)CC[NH+](C)C)ccc21.
What is the InChIKey of 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium?
The InChIKey is LKMBQIHFVOGPTF-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H27N3/c1-5-23-19-9-7-6-8-17(19)18-14-16(10-11-20(18)23)15-22(4)13-12-21(2)3/h6-11,14H,5,12-13,15H2,1-4H3/p+2.
What are the key properties of 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium?
2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium has a molecular weight of 311.47 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylazaniumyl)ethyl-[(9-ethylcarbazol-3-yl)methyl]-methylazanium is sourced from PubChem (CID 6937648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).