N-pent-4-ynyl-3-propoxypyridin-2-amine

C13H18N2O — CID 106222583

IUPACN-pent-4-ynyl-3-propoxypyridin-2-amine
SMILESC#CCCCNc1ncccc1OCCC
InChIInChI=1S/C13H18N2O/c1-3-5-6-9-14-13-12(16-11-4-2)8-7-10-15-13/h1,7-8,10H,4-6,9,11H2,2H3,(H,14,15)
InChIKeyCASVADRUKHKZND-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds7

About N-pent-4-ynyl-3-propoxypyridin-2-amine

N-pent-4-ynyl-3-propoxypyridin-2-amine (PubChem CID 106222583) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-pent-4-ynyl-3-propoxypyridin-2-amine.

Molecular Properties

Compound NameN-pent-4-ynyl-3-propoxypyridin-2-amine
PubChem CID106222583
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-pent-4-ynyl-3-propoxypyridin-2-amine
SMILESC#CCCCNc1ncccc1OCCC
InChIInChI=1S/C13H18N2O/c1-3-5-6-9-14-13-12(16-11-4-2)8-7-10-15-13/h1,7-8,10H,4-6,9,11H2,2H3,(H,14,15)
InChIKeyCASVADRUKHKZND-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
CID 107159121
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propoxypyridin-2-amine
CID 106418495
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
4-[[(3-propoxy-2-pyridinyl)amino]methyl]phenol
CID 114332578
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-propoxypyridin-2-amine
CID 105419140

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-3-propoxypyridin-2-amine?
The IUPAC name of N-pent-4-ynyl-3-propoxypyridin-2-amine (CID 106222583) is N-pent-4-ynyl-3-propoxypyridin-2-amine.
What is the SMILES notation for N-pent-4-ynyl-3-propoxypyridin-2-amine?
The canonical SMILES for N-pent-4-ynyl-3-propoxypyridin-2-amine is C#CCCCNc1ncccc1OCCC.
What is the InChIKey of N-pent-4-ynyl-3-propoxypyridin-2-amine?
The InChIKey is CASVADRUKHKZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-6-9-14-13-12(16-11-4-2)8-7-10-15-13/h1,7-8,10H,4-6,9,11H2,2H3,(H,14,15).
What are the key properties of N-pent-4-ynyl-3-propoxypyridin-2-amine?
N-pent-4-ynyl-3-propoxypyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-3-propoxypyridin-2-amine is sourced from PubChem (CID 106222583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).