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

C10H14N4O2 — CID 62663238

IUPACN-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(NCCNC2CC2)nc1
InChIInChI=1S/C10H14N4O2/c15-14(16)9-3-4-10(13-7-9)12-6-5-11-8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,12,13)
InChIKeyFUIUFBLSGGUCBR-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.15
Rot. Bonds6

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

N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 62663238) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID62663238
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(NCCNC2CC2)nc1
InChIInChI=1S/C10H14N4O2/c15-14(16)9-3-4-10(13-7-9)12-6-5-11-8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,12,13)
InChIKeyFUIUFBLSGGUCBR-UHFFFAOYSA-N
XLogP1.15
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-[2-(4-aminocyclohexyl)oxyethyl]-5-nitropyridin-2-amine
CID 63870865
4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591359
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741
2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 10019491
5-nitro-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71996258
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 102675378
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
CID 103604260

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 62663238) is N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine is O=[N+]([O-])c1ccc(NCCNC2CC2)nc1.
What is the InChIKey of N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is FUIUFBLSGGUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-14(16)9-3-4-10(13-7-9)12-6-5-11-8-1-2-8/h3-4,7-8,11H,1-2,5-6H2,(H,12,13).
What are the key properties of N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 62663238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).