N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine

C12H17N3O2 — CID 66278519

IUPACN-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)CC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O2/c1-8-5-11(15(16)17)12(13-7-8)14-9(2)6-10-3-4-10/h5,7,9-10H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyRMJLOTGPDDEIIZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.90
Rot. Bonds5

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

N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine (PubChem CID 66278519) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
PubChem CID66278519
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)CC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O2/c1-8-5-11(15(16)17)12(13-7-8)14-9(2)6-10-3-4-10/h5,7,9-10H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyRMJLOTGPDDEIIZ-UHFFFAOYSA-N
XLogP2.90
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.90
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-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
CID 66279610
4-N-(1-cyclopropylpropan-2-yl)-5-nitropyrimidine-2,4-diamine
CID 114044760
N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine
CID 103079936
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
N-(1-cyclobutylpropan-2-yl)-4-methyl-2-nitroaniline
CID 113489778
(2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 120964347
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280485
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine (CID 66278519) is N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NC(C)CC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine?
The InChIKey is RMJLOTGPDDEIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-11(15(16)17)12(13-7-8)14-9(2)6-10-3-4-10/h5,7,9-10H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine?
N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 66278519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).