1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

C11H16N4O2 — CID 79176066

IUPAC1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)C2CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-7-4-11(13-6-10(7)15(16)17)14-9(5-12)8-2-3-8/h4,6,8-9H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyDAOSISBOTANLBZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.45
Rot. Bonds5

About 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 79176066) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID79176066
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)C2CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-7-4-11(13-6-10(7)15(16)17)14-9(5-12)8-2-3-8/h4,6,8-9H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyDAOSISBOTANLBZ-UHFFFAOYSA-N
XLogP1.45
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
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

2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
CID 79173611
N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
CID 79175938
1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 65189039
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267136
1-cyclohexyl-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309542
1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 65193961
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 79176066) is 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is Cc1cc(NC(CN)C2CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is DAOSISBOTANLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-4-11(13-6-10(7)15(16)17)14-9(5-12)8-2-3-8/h4,6,8-9H,2-3,5,12H2,1H3,(H,13,14).
What are the key properties of 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 236.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 79176066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).