N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine

C11H15N3O2 — CID 80718382

IUPACN-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NC(C)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-7(9-3-4-9)12-11-6-5-10(14(15)16)8(2)13-11/h5-7,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyHRKMHXNOQVFCJW-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.51
Rot. Bonds4

About N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine

N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 80718382) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
PubChem CID80718382
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NC(C)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-7(9-3-4-9)12-11-6-5-10(14(15)16)8(2)13-11/h5-7,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyHRKMHXNOQVFCJW-UHFFFAOYSA-N
XLogP2.51
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.51
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

6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
6-methyl-N-[1-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 80718748
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide
CID 75433271
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103764759
3-nitro-6-[1-(oxolan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103472104
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine (CID 80718382) is N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine is Cc1nc(NC(C)C2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is HRKMHXNOQVFCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(9-3-4-9)12-11-6-5-10(14(15)16)8(2)13-11/h5-7,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine?
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80718382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).