N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine

C17H19N3O2 — CID 15621619

IUPACN,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
SMILESCN(C)CCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C17H19N3O2/c1-18(2)10-5-11-19-16-7-4-3-6-14(16)15-12-13(20(21)22)8-9-17(15)19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyIUTGOCOUALFKHJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.65
Rot. Bonds5

About N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine

N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine (PubChem CID 15621619) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
PubChem CID15621619
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
SMILESCN(C)CCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C17H19N3O2/c1-18(2)10-5-11-19-16-7-4-3-6-14(16)15-12-13(20(21)22)8-9-17(15)19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyIUTGOCOUALFKHJ-UHFFFAOYSA-N
XLogP3.65
TPSA51.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine (CID 15621619) is N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine is CN(C)CCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine?
The InChIKey is IUTGOCOUALFKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-18(2)10-5-11-19-16-7-4-3-6-14(16)15-12-13(20(21)22)8-9-17(15)19/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine?
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine is sourced from PubChem (CID 15621619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).