N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine

C24H33N3O2 — CID 91588819

IUPACN-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine
SMILESCCCCOCCOCCN(C)c1ccc(C#Cc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C24H33N3O2/c1-5-6-16-28-18-19-29-17-15-27(4)24-14-11-22(20-25-24)8-7-21-9-12-23(13-10-21)26(2)3/h9-14,20H,5-6,15-19H2,1-4H3
InChIKeyRHCQZATZWKTINJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.82
Rot. Bonds11

About N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine

N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine (PubChem CID 91588819) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine
PubChem CID91588819
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine
SMILESCCCCOCCOCCN(C)c1ccc(C#Cc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C24H33N3O2/c1-5-6-16-28-18-19-29-17-15-27(4)24-14-11-22(20-25-24)8-7-21-9-12-23(13-10-21)26(2)3/h9-14,20H,5-6,15-19H2,1-4H3
InChIKeyRHCQZATZWKTINJ-UHFFFAOYSA-N
XLogP3.82
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[2-(2-butoxyethoxy)ethoxy]-4-[2-(4-ethynylphenyl)ethynyl]benzene
CID 23626178
2-chloro-5-[2-(4-pentoxyphenyl)ethynyl]pyridine
CID 19765873
4-hexoxy-N,N-dimethylaniline
CID 19782341
3-[4-(2-butoxyethoxy)phenyl]prop-2-yn-1-ol
CID 54956139
4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
CID 176755063
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 5-[4-(dimethylamino)phenoxy]pentanoate
CID 59839504
N,N-dimethyl-5-(2-phenylethynyl)pyridin-2-amine
CID 58483730
2,5-bis[2-(4-heptoxyphenyl)ethynyl]pyridine
CID 58721235
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
N,5-dimethyl-N-propylpyridin-2-amine
CID 126990111
4-N-(2-dodecoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 89150752
1-[2-(4-decoxyphenyl)ethynyl]-3,5-bis[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]benzene
CID 101486311

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine (CID 91588819) is N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine is CCCCOCCOCCN(C)c1ccc(C#Cc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine?
The InChIKey is RHCQZATZWKTINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-6-16-28-18-19-29-17-15-27(4)24-14-11-22(20-25-24)8-7-21-9-12-23(13-10-21)26(2)3/h9-14,20H,5-6,15-19H2,1-4H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine?
N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine has a molecular weight of 395.55 g/mol, XLogP of 3.82, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-5-[2-[4-(dimethylamino)phenyl]ethynyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 91588819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).