N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine

C11H13N3O2 — CID 18882

IUPACN,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
SMILESCN(C)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H13N3O2/c1-13(2)7-8-6-12-11-4-3-9(14(15)16)5-10(8)11/h3-6,12H,7H2,1-2H3
InChIKeySVNVKGIWGOHXPW-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.14
Rot. Bonds3

About N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine

N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine (PubChem CID 18882) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
PubChem CID18882
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
SMILESCN(C)Cc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H13N3O2/c1-13(2)7-8-6-12-11-4-3-9(14(15)16)5-10(8)11/h3-6,12H,7H2,1-2H3
InChIKeySVNVKGIWGOHXPW-UHFFFAOYSA-N
XLogP2.14
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 12575718
3-(2-azidoethyl)-5-nitro-1H-indole
CID 123550245
2-[(dimethylamino)methyl]-N,N-dimethyl-4-nitroaniline
CID 69081137
N-methyl-2-(5-nitro-1H-indol-3-yl)-N-[2-(1,2,4-triazol-4-yl)ethyl]acetamide
CID 75433748
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide
CID 110000935
3-[(5-methoxy-1H-indol-3-yl)methyl]-6-nitro-1H-indole
CID 166517333
3-(methylsulfanylmethyl)-6-nitro-1H-indole
CID 23245098
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 51298232
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine (CID 18882) is N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine is CN(C)Cc1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine?
The InChIKey is SVNVKGIWGOHXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13(2)7-8-6-12-11-4-3-9(14(15)16)5-10(8)11/h3-6,12H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine?
N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine has a molecular weight of 219.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine is sourced from PubChem (CID 18882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).