N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine

C14H23N3O2 — CID 20870569

IUPACN-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCN(CCC(C)(C)C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H23N3O2/c1-5-9-16(10-8-14(2,3)4)13-7-6-12(11-15-13)17(18)19/h6-7,11H,5,8-10H2,1-4H3
InChIKeyWPCAMFBISFIAMY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.64
Rot. Bonds6

About N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine

N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine (PubChem CID 20870569) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine
PubChem CID20870569
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCN(CCC(C)(C)C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H23N3O2/c1-5-9-16(10-8-14(2,3)4)13-7-6-12(11-15-13)17(18)19/h6-7,11H,5,8-10H2,1-4H3
InChIKeyWPCAMFBISFIAMY-UHFFFAOYSA-N
XLogP3.64
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine (CID 20870569) is N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine is CCCN(CCC(C)(C)C)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine?
The InChIKey is WPCAMFBISFIAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-9-16(10-8-14(2,3)4)13-7-6-12(11-15-13)17(18)19/h6-7,11H,5,8-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine?
N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 20870569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).