N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine

C11H15N3O2 — CID 66280695

IUPACN-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O2/c1-7-5-10(14(15)16)11(12-6-7)13-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,12,13)
InChIKeyRDSNUIXDAXDPGY-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.51
Rot. Bonds4

About N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine

N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine (PubChem CID 66280695) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
PubChem CID66280695
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O2/c1-7-5-10(14(15)16)11(12-6-7)13-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,12,13)
InChIKeyRDSNUIXDAXDPGY-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

N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
2-N-(1-cyclopropylethyl)-5-methylpyridine-2,3-diamine
CID 66281048
(2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 120964347
5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine
CID 66278508
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267136
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
CID 66279610
N-[1-(2-chlorophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66279384
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine (CID 66280695) is N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NC(C)C2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine?
The InChIKey is RDSNUIXDAXDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-10(14(15)16)11(12-6-7)13-8(2)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine?
N-(1-cyclopropylethyl)-5-methyl-3-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)-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 66280695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).