6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine

C11H16N4O2 — CID 114071044

IUPAC6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
SMILESCCNc1cc([N+](=O)[O-])cc(NCC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-2-12-10-5-9(15(16)17)6-11(14-10)13-7-8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H2,12,13,14)
InChIKeyUFYWSHSPEWXEHR-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.24
Rot. Bonds6

About 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine

6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine (PubChem CID 114071044) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
PubChem CID114071044
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
SMILESCCNc1cc([N+](=O)[O-])cc(NCC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-2-12-10-5-9(15(16)17)6-11(14-10)13-7-8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H2,12,13,14)
InChIKeyUFYWSHSPEWXEHR-UHFFFAOYSA-N
XLogP2.24
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.24
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

6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106138650
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
CID 114071057
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
3-N-(cyclohexylmethyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80783944
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
CID 106343389
3-[[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106103503
N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 60567693
N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
CID 107413743
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377

Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine (CID 114071044) is 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine is CCNc1cc([N+](=O)[O-])cc(NCC2CC2)n1.
What is the InChIKey of 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine?
The InChIKey is UFYWSHSPEWXEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-12-10-5-9(15(16)17)6-11(14-10)13-7-8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H2,12,13,14).
What are the key properties of 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine?
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine has a molecular weight of 236.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 114071044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).