N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine

C10H13N3O2 — CID 154776014

IUPACN-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine
SMILESC=CC(C)(C)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O2/c1-4-10(2,3)12-9-6-5-8(7-11-9)13(14)15/h4-7H,1H2,2-3H3,(H,11,12)
InChIKeyDVSPIKLSDRPCNQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.37
Rot. Bonds4

About N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine

N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine (PubChem CID 154776014) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine
PubChem CID154776014
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine
SMILESC=CC(C)(C)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O2/c1-4-10(2,3)12-9-6-5-8(7-11-9)13(14)15/h4-7H,1H2,2-3H3,(H,11,12)
InChIKeyDVSPIKLSDRPCNQ-UHFFFAOYSA-N
XLogP2.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.37
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-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 113258140
N-(5-nitro-2-pyridinyl)formamide
CID 91754326
3-[[(5-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 62059734
4-[(5-nitro-2-pyridinyl)amino]-2-phenylbutan-2-ol
CID 133495647
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
CID 157357531
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine?
The IUPAC name of N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine (CID 154776014) is N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine is C=CC(C)(C)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine?
The InChIKey is DVSPIKLSDRPCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-4-10(2,3)12-9-6-5-8(7-11-9)13(14)15/h4-7H,1H2,2-3H3,(H,11,12).
What are the key properties of N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine?
N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine has a molecular weight of 207.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 154776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).