2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine

C10H16N4O2 — CID 115586001

IUPAC2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
SMILESCC(CNc1cccnc1[N+](=O)[O-])N(C)C
InChIInChI=1S/C10H16N4O2/c1-8(13(2)3)7-12-9-5-4-6-11-10(9)14(15)16/h4-6,8,12H,7H2,1-3H3
InChIKeyGEPKDYVEFXELAD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine

2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine (PubChem CID 115586001) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
PubChem CID115586001
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
SMILESCC(CNc1cccnc1[N+](=O)[O-])N(C)C
InChIInChI=1S/C10H16N4O2/c1-8(13(2)3)7-12-9-5-4-6-11-10(9)14(15)16/h4-6,8,12H,7H2,1-3H3
InChIKeyGEPKDYVEFXELAD-UHFFFAOYSA-N
XLogP1.35
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
3-[[(2-nitro-3-pyridinyl)amino]methyl]pentan-1-ol
CID 112698378
3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
CID 115871237
1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
CID 113224700
1-N,1-N-dimethyl-3-N-(2-nitro-3-pyridinyl)butane-1,3-diamine
CID 113227932
2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897
N-methyl-2-nitropyridin-3-amine
CID 555983
2-N,2-N-dimethyl-1-N-(3-methyl-2-nitrophenyl)propane-1,2-diamine
CID 102809456
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
N-[2-(2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115585466
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine (CID 115586001) is 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine is CC(CNc1cccnc1[N+](=O)[O-])N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine?
The InChIKey is GEPKDYVEFXELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(13(2)3)7-12-9-5-4-6-11-10(9)14(15)16/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine has a molecular weight of 224.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 115586001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).