N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine

C13H22N4O2 — CID 79662020

IUPACN'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H22N4O2/c1-5-16(9-13(3,4)8-14)12-10(2)6-11(7-15-12)17(18)19/h6-7H,5,8-9,14H2,1-4H3
InChIKeyJOMUVVONAPOVAV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.11
Rot. Bonds6

About N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine (PubChem CID 79662020) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
PubChem CID79662020
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H22N4O2/c1-5-16(9-13(3,4)8-14)12-10(2)6-11(7-15-12)17(18)19/h6-7H,5,8-9,14H2,1-4H3
InChIKeyJOMUVVONAPOVAV-UHFFFAOYSA-N
XLogP2.11
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.11
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'-ethyl-2,2-dimethyl-N'-(2-methyl-4-nitrophenyl)propane-1,3-diamine
CID 79662094
1-[(3-chloro-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 113238823
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298
2-[(3-methyl-5-nitro-2-pyridinyl)-prop-2-ynylamino]acetic acid
CID 79275185
N'-(5-chloro-3-fluoro-2-pyridinyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79727656
N'-ethyl-N'-(2-iodo-4-nitrophenyl)-2,2-dimethylpropane-1,3-diamine
CID 79661768
tert-butyl-(3-methyl-5-nitro-2-pyridinyl)carbamic acid
CID 66927025
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119655604
2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 79662279
N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 67088839
2,2-difluoro-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 114384478
N'-(2,6-dichloro-4-nitrophenyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 106891844

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine (CID 79662020) is N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine is CCN(CC(C)(C)CN)c1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is JOMUVVONAPOVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-16(9-13(3,4)8-14)12-10(2)6-11(7-15-12)17(18)19/h6-7H,5,8-9,14H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 266.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 79662020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).