5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine

C15H27N3O2 — CID 82952312

IUPAC5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine
SMILESCCOCCN(CCOCC)c1cc(C)ncc1CN
InChIInChI=1S/C15H27N3O2/c1-4-19-8-6-18(7-9-20-5-2)15-10-13(3)17-12-14(15)11-16/h10,12H,4-9,11,16H2,1-3H3
InChIKeyKLSIWGANUDJJEM-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.73
Rot. Bonds10

About 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine

5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine (PubChem CID 82952312) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine
PubChem CID82952312
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine
SMILESCCOCCN(CCOCC)c1cc(C)ncc1CN
InChIInChI=1S/C15H27N3O2/c1-4-19-8-6-18(7-9-20-5-2)15-10-13(3)17-12-14(15)11-16/h10,12H,4-9,11,16H2,1-3H3
InChIKeyKLSIWGANUDJJEM-UHFFFAOYSA-N
XLogP1.73
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)pyridin-4-amine
CID 107871241
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-4-amine
CID 82952880
5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine
CID 81248348
5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine
CID 81234440
[4-[bis(2-methoxyethyl)amino]-6-methyl-3-pyridinyl]methanol
CID 81239387
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
[4-(dipropylamino)-6-methyl-3-pyridinyl]methanol
CID 81237111
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82961058
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
3-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridin-4-amine
CID 81248237
5-(aminomethyl)-N,2-dimethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81248991

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine?
The IUPAC name of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine (CID 82952312) is 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine?
The canonical SMILES for 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine is CCOCCN(CCOCC)c1cc(C)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine?
The InChIKey is KLSIWGANUDJJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-19-8-6-18(7-9-20-5-2)15-10-13(3)17-12-14(15)11-16/h10,12H,4-9,11,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine?
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-2-methylpyridin-4-amine is sourced from PubChem (CID 82952312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).