6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine

C12H21N5O2 — CID 80924578

IUPAC6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine
SMILESCCC(C)CC(C)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-4-8(2)7-9(3)14-12-10(17(18)19)5-6-11(15-12)16-13/h5-6,8-9H,4,7,13H2,1-3H3,(H2,14,15,16)
InChIKeyDGRBHYSSCMCAET-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.51
Rot. Bonds7

About 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine

6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine (PubChem CID 80924578) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine
PubChem CID80924578
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine
SMILESCCC(C)CC(C)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-4-8(2)7-9(3)14-12-10(17(18)19)5-6-11(15-12)16-13/h5-6,8-9H,4,7,13H2,1-3H3,(H2,14,15,16)
InChIKeyDGRBHYSSCMCAET-UHFFFAOYSA-N
XLogP2.51
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-hydrazinyl-3-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 80904081
N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80897107
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
CID 80838459
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80901597
2-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80795505
2-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80918744
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine (CID 80924578) is 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine is CCC(C)CC(C)Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine?
The InChIKey is DGRBHYSSCMCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-8(2)7-9(3)14-12-10(17(18)19)5-6-11(15-12)16-13/h5-6,8-9H,4,7,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine?
6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 80924578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).