1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

C13H20N4O2 — CID 106738165

IUPAC1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NC(CN)C1CCCC1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(17(18)19)8-15-13(9)16-12(7-14)10-4-2-3-5-10/h6,8,10,12H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyIFBDTRWXWQFZIU-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.23
Rot. Bonds5

About 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 106738165) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID106738165
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NC(CN)C1CCCC1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(17(18)19)8-15-13(9)16-12(7-14)10-4-2-3-5-10/h6,8,10,12H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyIFBDTRWXWQFZIU-UHFFFAOYSA-N
XLogP2.23
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.23
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

1-cyclohexyl-N-(5-nitropyrimidin-2-yl)ethane-1,2-diamine
CID 115309590
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
1-cyclohexyl-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309542
1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 115309003
1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 79176066

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 106738165) is 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is Cc1cc([N+](=O)[O-])cnc1NC(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is IFBDTRWXWQFZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-11(17(18)19)8-15-13(9)16-12(7-14)10-4-2-3-5-10/h6,8,10,12H,2-5,7,14H2,1H3,(H,15,16).
What are the key properties of 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 106738165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).