N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine

C11H16N4O2 — CID 62979922

IUPACN'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(CCNc1cc([N+](=O)[O-])ccn1)C1CC1
InChIInChI=1S/C11H16N4O2/c1-14(9-2-3-9)7-6-13-11-8-10(15(16)17)4-5-12-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyMHQMWYCFSJGNBF-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.50
Rot. Bonds6

About N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 62979922) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID62979922
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(CCNc1cc([N+](=O)[O-])ccn1)C1CC1
InChIInChI=1S/C11H16N4O2/c1-14(9-2-3-9)7-6-13-11-8-10(15(16)17)4-5-12-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyMHQMWYCFSJGNBF-UHFFFAOYSA-N
XLogP1.50
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.50
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-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine
CID 90921952
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 62979400
N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
CID 107413743
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
N-(2-bromo-4-nitrophenyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318624
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 114186343
N'-cyclopropyl-N'-methyl-N-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 62976814
N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyridin-2-amine
CID 114468787
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62979979
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine (CID 62979922) is N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine is CN(CCNc1cc([N+](=O)[O-])ccn1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is MHQMWYCFSJGNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(9-2-3-9)7-6-13-11-8-10(15(16)17)4-5-12-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 236.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 62979922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).