N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine

C10H13N3O2 — CID 61223122

IUPACN-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
SMILESCC1(C)CC1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-10(2)6-8(10)12-9-7(13(14)15)4-3-5-11-9/h3-5,8H,6H2,1-2H3,(H,11,12)
InChIKeyDQWZCXRIWROCHS-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.20
Rot. Bonds3

About N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine

N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine (PubChem CID 61223122) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
PubChem CID61223122
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
SMILESCC1(C)CC1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-10(2)6-8(10)12-9-7(13(14)15)4-3-5-11-9/h3-5,8H,6H2,1-2H3,(H,11,12)
InChIKeyDQWZCXRIWROCHS-UHFFFAOYSA-N
XLogP2.20
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol
CID 114630093
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
CID 79363256
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(2,2-dimethylcyclopropyl)-3-methylpyridin-2-amine
CID 62255671
N-methyl-3-nitropyridin-2-amine
CID 556349
N-(2,2-dimethylcyclopropyl)-3-fluoropyridin-2-amine
CID 62733054
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine (CID 61223122) is N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine is CC1(C)CC1Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine?
The InChIKey is DQWZCXRIWROCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-10(2)6-8(10)12-9-7(13(14)15)4-3-5-11-9/h3-5,8H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine?
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine has a molecular weight of 207.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 61223122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).