N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine

C12H19N5O2 — CID 114542334

IUPACN-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCC1(C)CCC(Nc2nc(NN)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H19N5O2/c1-12(2)6-5-8(7-12)14-11-9(17(18)19)3-4-10(15-11)16-13/h3-4,8H,5-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyJPWCBKFBBKVNPR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.27
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 114542334) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID114542334
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCC1(C)CCC(Nc2nc(NN)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H19N5O2/c1-12(2)6-5-8(7-12)14-11-9(17(18)19)3-4-10(15-11)16-13/h3-4,8H,5-7,13H2,1-2H3,(H2,14,15,16)
InChIKeyJPWCBKFBBKVNPR-UHFFFAOYSA-N
XLogP2.27
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.27
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

N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 80915009
6-[(3,3-dimethylcyclohexyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114404359
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106198856
N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
CID 115880998
6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
CID 114122174
[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
6-[(3,3-dimethylcyclopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114546978
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114542352
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 114542334) is N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine is CC1(C)CCC(Nc2nc(NN)ccc2[N+](=O)[O-])C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is JPWCBKFBBKVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-12(2)6-5-8(7-12)14-11-9(17(18)19)3-4-10(15-11)16-13/h3-4,8H,5-7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 114542334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).