2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine

C14H25N5O2 — CID 80772125

IUPAC2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-4-18(5-2)10-6-7-11(3)16-14-12(19(20)21)8-9-13(15)17-14/h8-9,11H,4-7,10H2,1-3H3,(H3,15,16,17)
InChIKeyDELYEMIVQPPJOX-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.49
Rot. Bonds9

About 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine

2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine (PubChem CID 80772125) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine
PubChem CID80772125
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-4-18(5-2)10-6-7-11(3)16-14-12(19(20)21)8-9-13(15)17-14/h8-9,11H,4-7,10H2,1-3H3,(H3,15,16,17)
InChIKeyDELYEMIVQPPJOX-UHFFFAOYSA-N
XLogP2.49
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-N-(3-ethylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80839068
2-N-[4-(furan-2-yl)butan-2-yl]-3-nitropyridine-2,6-diamine
CID 80805005
3-nitro-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,6-diamine
CID 80800240
1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine
CID 115569605
4-N-(4-bromo-2-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43082229
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-nitropyridine-2,6-diamine
CID 80836746
2-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80795505
4-N-(3-bromo-5-nitro-2-pyridinyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79530972
methyl 2-[(6-amino-3-nitro-2-pyridinyl)amino]propanoate
CID 70979729
6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine
CID 80871108
8-N-[5-(diethylamino)pentan-2-yl]-3-(4-nitrophenyl)pyrido[2,3-b]pyrazine-6,8-diamine;hydrochloride
CID 54610259
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine (CID 80772125) is 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine is CCN(CC)CCCC(C)Nc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine?
The InChIKey is DELYEMIVQPPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-18(5-2)10-6-7-11(3)16-14-12(19(20)21)8-9-13(15)17-14/h8-9,11H,4-7,10H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine?
2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80772125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).