1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine

C13H20N4O2 — CID 115309440

IUPAC1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESNCC(Nc1ncccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H20N4O2/c14-9-11(10-5-2-1-3-6-10)16-13-12(17(18)19)7-4-8-15-13/h4,7-8,10-11H,1-3,5-6,9,14H2,(H,15,16)
InChIKeyPAXRTWRLOWHPIG-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.31
Rot. Bonds5

About 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine

1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 115309440) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID115309440
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESNCC(Nc1ncccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H20N4O2/c14-9-11(10-5-2-1-3-6-10)16-13-12(17(18)19)7-4-8-15-13/h4,7-8,10-11H,1-3,5-6,9,14H2,(H,15,16)
InChIKeyPAXRTWRLOWHPIG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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

N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 62406132
1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
CID 95785017
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
CID 115309539
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
1-cyclohexyl-N-(5-nitropyrimidin-2-yl)ethane-1,2-diamine
CID 115309590
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
1-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
CID 106738180

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 115309440) is 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine is NCC(Nc1ncccc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is PAXRTWRLOWHPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-9-11(10-5-2-1-3-6-10)16-13-12(17(18)19)7-4-8-15-13/h4,7-8,10-11H,1-3,5-6,9,14H2,(H,15,16).
What are the key properties of 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 115309440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).