6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine

C14H22N4O2 — CID 106014998

IUPAC6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
SMILESCNc1cc([N+](=O)[O-])cc(NCCCC2CCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-15-13-9-12(18(19)20)10-14(17-13)16-8-4-7-11-5-2-3-6-11/h9-11H,2-8H2,1H3,(H2,15,16,17)
InChIKeyGHATUJCHMBQATB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.41
Rot. Bonds7

About 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine

6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine (PubChem CID 106014998) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
PubChem CID106014998
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
SMILESCNc1cc([N+](=O)[O-])cc(NCCCC2CCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-15-13-9-12(18(19)20)10-14(17-13)16-8-4-7-11-5-2-3-6-11/h9-11H,2-8H2,1H3,(H2,15,16,17)
InChIKeyGHATUJCHMBQATB-UHFFFAOYSA-N
XLogP3.41
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.41
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

6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine
CID 114158243
2,6-dichloro-N-(3-cyclopentylpropyl)-4-nitroaniline
CID 106012965
2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106163269
N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine
CID 106012835
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
6-N-(2-cyclopentylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717681
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
2-ethyl-2-[[[6-(methylamino)-4-nitro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258324
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine
CID 104626084

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine (CID 106014998) is 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine is CNc1cc([N+](=O)[O-])cc(NCCCC2CCCC2)n1.
What is the InChIKey of 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine?
The InChIKey is GHATUJCHMBQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-13-9-12(18(19)20)10-14(17-13)16-8-4-7-11-5-2-3-6-11/h9-11H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine?
6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 106014998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).