N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine

C19H23N3O2 — CID 58544932

IUPACN,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine
SMILESCCN(CC)CCn1c2ccc(C)cc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C19H23N3O2/c1-4-20(5-2)10-11-21-18-8-6-14(3)12-16(18)17-13-15(22(23)24)7-9-19(17)21/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeySABYOKKMIMJRBJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.35
Rot. Bonds6

About N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine

N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine (PubChem CID 58544932) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine
PubChem CID58544932
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine
SMILESCCN(CC)CCn1c2ccc(C)cc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C19H23N3O2/c1-4-20(5-2)10-11-21-18-8-6-14(3)12-16(18)17-13-15(22(23)24)7-9-19(17)21/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeySABYOKKMIMJRBJ-UHFFFAOYSA-N
XLogP4.35
TPSA51.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
N,N-diethyl-2-[5-nitro-2-(2-phenylethyl)benzimidazol-1-yl]ethanamine
CID 15327525
N,N-diethyl-2-[2-[(4-fluorophenyl)methyl]-5-nitrobenzimidazol-1-yl]ethanamine
CID 156588967
N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
CID 2966419
N,N-diethyl-2-[5-nitro-2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanamine;hydrochloride
CID 91798929
3,6-dinitro-9-(3-pyrrolidin-1-ylpropyl)carbazole
CID 45381225
3-iodo-6-nitro-9-tetradecylcarbazole
CID 71348476
(2S)-1-(diethylamino)-3-(2-methyl-5-nitro-3-phenylindol-1-yl)propan-2-ol
CID 2056683
(2R)-1-(diethylamino)-3-(2-methyl-5-nitro-3-phenylindol-1-yl)propan-2-ol
CID 2056685
3-methyl-6-nitro-9H-carbazole
CID 58160212
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 11953608

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine (CID 58544932) is N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine is CCN(CC)CCn1c2ccc(C)cc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine?
The InChIKey is SABYOKKMIMJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-20(5-2)10-11-21-18-8-6-14(3)12-16(18)17-13-15(22(23)24)7-9-19(17)21/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine?
N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine has a molecular weight of 325.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine is sourced from PubChem (CID 58544932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).