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

C12H18N4O2 — CID 55080985

IUPAC2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCCCC1N
InChIInChI=1S/C12H18N4O2/c1-8-6-9(16(17)18)7-14-12(8)15-11-5-3-2-4-10(11)13/h6-7,10-11H,2-5,13H2,1H3,(H,14,15)
InChIKeyDPTKXSUXZKPGGF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.98
Rot. Bonds3

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

2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine (PubChem CID 55080985) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
PubChem CID55080985
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCCCC1N
InChIInChI=1S/C12H18N4O2/c1-8-6-9(16(17)18)7-14-12(8)15-11-5-3-2-4-10(11)13/h6-7,10-11H,2-5,13H2,1H3,(H,14,15)
InChIKeyDPTKXSUXZKPGGF-UHFFFAOYSA-N
XLogP1.98
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.98
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-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432
3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 62476705
3-bromo-N-(2-methylcyclohexyl)-5-nitropyridin-2-amine
CID 79534514
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
CID 62475877
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376408
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine (CID 55080985) is 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine is Cc1cc([N+](=O)[O-])cnc1NC1CCCCC1N.
What is the InChIKey of 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine?
The InChIKey is DPTKXSUXZKPGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-9(16(17)18)7-14-12(8)15-11-5-3-2-4-10(11)13/h6-7,10-11H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine?
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine has a molecular weight of 250.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 55080985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).