1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

C17H23N3O — CID 82732602

IUPAC1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2ncccc2CC)c1
InChIInChI=1S/C17H23N3O/c1-4-9-21-15-10-14(11-19-12-15)16(18-3)17-13(5-2)7-6-8-20-17/h6-8,10-12,16,18H,4-5,9H2,1-3H3
InChIKeyYVGFOYVJJQYVHU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.14
Rot. Bonds7

About 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 82732602) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID82732602
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2ncccc2CC)c1
InChIInChI=1S/C17H23N3O/c1-4-9-21-15-10-14(11-19-12-15)16(18-3)17-13(5-2)7-6-8-20-17/h6-8,10-12,16,18H,4-5,9H2,1-3H3
InChIKeyYVGFOYVJJQYVHU-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-2-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 82732624
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
1-(3,4-dimethylphenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82730774
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
[(3-ethyl-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105263764
(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 82729580
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
1-(3-chlorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82731318
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (CID 82732602) is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2ncccc2CC)c1.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is YVGFOYVJJQYVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-9-21-15-10-14(11-19-12-15)16(18-3)17-13(5-2)7-6-8-20-17/h6-8,10-12,16,18H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 82732602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).