N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide

C13H21N3O — CID 145197954

IUPACN-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide
SMILESCc1ccc(N(C=O)CCNC(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-11-5-6-12(9-14-11)16(10-17)8-7-15-13(2,3)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyLLXNLYOMYYLANG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide

N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide (PubChem CID 145197954) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide
PubChem CID145197954
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide
SMILESCc1ccc(N(C=O)CCNC(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-11-5-6-12(9-14-11)16(10-17)8-7-15-13(2,3)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyLLXNLYOMYYLANG-UHFFFAOYSA-N
XLogP1.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide (CID 145197954) is N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide is Cc1ccc(N(C=O)CCNC(C)(C)C)cn1.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide?
The InChIKey is LLXNLYOMYYLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-5-6-12(9-14-11)16(10-17)8-7-15-13(2,3)4/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide?
N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide has a molecular weight of 235.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]-N-(6-methyl-3-pyridinyl)formamide is sourced from PubChem (CID 145197954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).