N-cyclopentyl-6-methyl-5-nitropyridin-2-amine

C11H15N3O2 — CID 80718825

IUPACN-cyclopentyl-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NC2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-8-10(14(15)16)6-7-11(12-8)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,13)
InChIKeyMXOVKDTYQJVUMH-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.65
Rot. Bonds3

About N-cyclopentyl-6-methyl-5-nitropyridin-2-amine

N-cyclopentyl-6-methyl-5-nitropyridin-2-amine (PubChem CID 80718825) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-cyclopentyl-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-methyl-5-nitropyridin-2-amine
PubChem CID80718825
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-cyclopentyl-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NC2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-8-10(14(15)16)6-7-11(12-8)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,13)
InChIKeyMXOVKDTYQJVUMH-UHFFFAOYSA-N
XLogP2.65
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.65
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-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103764759
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
N-(2-cyclopropyloxolan-3-yl)-6-methyl-5-nitropyridin-2-amine
CID 103864059
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440404
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide
CID 75433271
6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine
CID 80711618
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-cyclopentyl-6-methyl-5-nitropyridin-2-amine (CID 80718825) is N-cyclopentyl-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-cyclopentyl-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-cyclopentyl-6-methyl-5-nitropyridin-2-amine is Cc1nc(NC2CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-6-methyl-5-nitropyridin-2-amine?
The InChIKey is MXOVKDTYQJVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-10(14(15)16)6-7-11(12-8)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,12,13).
What are the key properties of N-cyclopentyl-6-methyl-5-nitropyridin-2-amine?
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80718825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).