N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine

C10H16N4O2 — CID 133356104

IUPACN,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-12(2)7-8-13(3)10-9(14(15)16)5-4-6-11-10/h4-6H,7-8H2,1-3H3
InChIKeyJDRYWCOJNAHLNR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.99
Rot. Bonds5

About N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 133356104) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID133356104
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-12(2)7-8-13(3)10-9(14(15)16)5-4-6-11-10/h4-6H,7-8H2,1-3H3
InChIKeyJDRYWCOJNAHLNR-UHFFFAOYSA-N
XLogP0.99
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
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-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 26449184
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 26448919
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 54385878
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
N'-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)propane-1,3-diamine
CID 57000020
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
N-ethyl-N-(3-nitro-2-pyridinyl)propanamide
CID 155572515
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 133356104) is N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine is CN(C)CCN(C)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is JDRYWCOJNAHLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12(2)7-8-13(3)10-9(14(15)16)5-4-6-11-10/h4-6H,7-8H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 224.26 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 133356104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).