4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine

C15H25N3 — CID 113379421

IUPAC4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine
SMILESC=CCN(CCC)c1cc(CNCC)cc(C)n1
InChIInChI=1S/C15H25N3/c1-5-8-18(9-6-2)15-11-14(12-16-7-3)10-13(4)17-15/h5,10-11,16H,1,6-9,12H2,2-4H3
InChIKeyXLBRFFXGTZXINA-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.90
Rot. Bonds8

About 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine

4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine (PubChem CID 113379421) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine
PubChem CID113379421
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine
SMILESC=CCN(CCC)c1cc(CNCC)cc(C)n1
InChIInChI=1S/C15H25N3/c1-5-8-18(9-6-2)15-11-14(12-16-7-3)10-13(4)17-15/h5,10-11,16H,1,6-9,12H2,2-4H3
InChIKeyXLBRFFXGTZXINA-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-6-propylpyridin-2-amine
CID 103340202
N,6-dimethyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 113379417
[2-[tert-butyl(prop-2-enyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378776
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 113379346
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979848
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 62288244
N-(cyclopropylmethyl)-3-(ethylaminomethyl)-4,6-dimethyl-N-propylpyridin-2-amine
CID 62284109
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-propylpyridin-4-amine
CID 81249866
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine (CID 113379421) is 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine is C=CCN(CCC)c1cc(CNCC)cc(C)n1.
What is the InChIKey of 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine?
The InChIKey is XLBRFFXGTZXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-8-18(9-6-2)15-11-14(12-16-7-3)10-13(4)17-15/h5,10-11,16H,1,6-9,12H2,2-4H3.
What are the key properties of 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine?
4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-6-methyl-N-prop-2-enyl-N-propylpyridin-2-amine is sourced from PubChem (CID 113379421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).