N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C11H17BrN4O2 — CID 79534620

IUPACN-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H17BrN4O2/c1-8(2)15(3)5-4-13-11-10(12)6-9(7-14-11)16(17)18/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyFDDMVRMWTYWQBQ-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.50
Rot. Bonds6

About N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 79534620) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID79534620
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC NameN-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H17BrN4O2/c1-8(2)15(3)5-4-13-11-10(12)6-9(7-14-11)16(17)18/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyFDDMVRMWTYWQBQ-UHFFFAOYSA-N
XLogP2.50
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 79535237
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
3-bromo-5-nitro-N-(2-phenylpropyl)pyridin-2-amine
CID 104591694
6-[2-[methyl(propan-2-yl)amino]ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81438518
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 113410745
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-nitropyridin-2-amine
CID 79534255
3-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-nitropyridin-2-amine
CID 113250347
N'-methyl-N-[1-(4-nitrophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635051

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 79534620) is N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FDDMVRMWTYWQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-8(2)15(3)5-4-13-11-10(12)6-9(7-14-11)16(17)18/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 317.19 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 79534620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).