N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine

C13H19N3O2 — CID 79175938

IUPACN-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
SMILESCCC(CC1CC1)Nc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C13H19N3O2/c1-3-11(7-10-4-5-10)15-13-6-9(2)12(8-14-13)16(17)18/h6,8,10-11H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyYHVSOEMHGRWLDD-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine

N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine (PubChem CID 79175938) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
PubChem CID79175938
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
SMILESCCC(CC1CC1)Nc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C13H19N3O2/c1-3-11(7-10-4-5-10)15-13-6-9(2)12(8-14-13)16(17)18/h6,8,10-11H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyYHVSOEMHGRWLDD-UHFFFAOYSA-N
XLogP3.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.29
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

1-cyclopropyl-N-(4-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 79176066
2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
CID 79173611
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
CID 79173449
2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 83269513
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
6-(1-cyclopropylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471695
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79165262
5-methyl-4-nitro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231283
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine (CID 79175938) is N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine is CCC(CC1CC1)Nc1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine?
The InChIKey is YHVSOEMHGRWLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-11(7-10-4-5-10)15-13-6-9(2)12(8-14-13)16(17)18/h6,8,10-11H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine?
N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79175938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).