N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine

C14H19N3O2 — CID 80712219

IUPACN-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NCC(C2CC2)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O2/c1-9-13(17(18)19)6-7-14(16-9)15-8-12(10-2-3-10)11-4-5-11/h6-7,10-12H,2-5,8H2,1H3,(H,15,16)
InChIKeyPBHMJUQTEYWVHV-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.15
Rot. Bonds6

About N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine

N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 80712219) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
PubChem CID80712219
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NCC(C2CC2)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O2/c1-9-13(17(18)19)6-7-14(16-9)15-8-12(10-2-3-10)11-4-5-11/h6-7,10-12H,2-5,8H2,1H3,(H,15,16)
InChIKeyPBHMJUQTEYWVHV-UHFFFAOYSA-N
XLogP3.15
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.15
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'}

Analyze N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 133361606
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine (CID 80712219) is N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine is Cc1nc(NCC(C2CC2)C2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is PBHMJUQTEYWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-13(17(18)19)6-7-14(16-9)15-8-12(10-2-3-10)11-4-5-11/h6-7,10-12H,2-5,8H2,1H3,(H,15,16).
What are the key properties of N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine has a molecular weight of 261.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80712219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).