N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine

C14H19N3O2 — CID 170866882

IUPACN,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccc([N+](=O)[O-])cc2c1CCCN(C)C
InChIInChI=1S/C14H19N3O2/c1-10-12(5-4-8-16(2)3)13-9-11(17(18)19)6-7-14(13)15-10/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyPCRPDLBEKAERRZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.88
Rot. Bonds5

About N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine

N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine (PubChem CID 170866882) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine
PubChem CID170866882
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccc([N+](=O)[O-])cc2c1CCCN(C)C
InChIInChI=1S/C14H19N3O2/c1-10-12(5-4-8-16(2)3)13-9-11(17(18)19)6-7-14(13)15-10/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyPCRPDLBEKAERRZ-UHFFFAOYSA-N
XLogP2.88
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine (CID 170866882) is N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine is Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine?
The InChIKey is PCRPDLBEKAERRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-12(5-4-8-16(2)3)13-9-11(17(18)19)6-7-14(13)15-10/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine?
N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methyl-5-nitro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 170866882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).