4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine

C11H15N3O2 — CID 103525180

IUPAC4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
SMILESCC(C)=CCNc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-8(2)4-6-12-11-10(14(15)16)9(3)5-7-13-11/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyQITSRMJOYIEENI-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.68
Rot. Bonds4

About 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine

4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine (PubChem CID 103525180) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
PubChem CID103525180
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
SMILESCC(C)=CCNc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-8(2)4-6-12-11-10(14(15)16)9(3)5-7-13-11/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyQITSRMJOYIEENI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115629511
4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114956616
4,4-dimethyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103895848
2-methyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 113440749
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 133441885
2,2,3-trimethyl-3-[(4-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 65266098

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine (CID 103525180) is 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine is CC(C)=CCNc1nccc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine?
The InChIKey is QITSRMJOYIEENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)4-6-12-11-10(14(15)16)9(3)5-7-13-11/h4-5,7H,6H2,1-3H3,(H,12,13).
What are the key properties of 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine?
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 103525180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).