3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine

C17H31N3O — CID 79058596

IUPAC3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1ncc(C)c(OC)c1C)N(C)C
InChIInChI=1S/C17H31N3O/c1-8-17(9-2,20(5)6)15(18)10-14-13(4)16(21-7)12(3)11-19-14/h11,15H,8-10,18H2,1-7H3
InChIKeyQDLQGUCHIDCROY-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.70
Rot. Bonds7

About 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine

3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 79058596) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID79058596
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1ncc(C)c(OC)c1C)N(C)C
InChIInChI=1S/C17H31N3O/c1-8-17(9-2,20(5)6)15(18)10-14-13(4)16(21-7)12(3)11-19-14/h11,15H,8-10,18H2,1-7H3
InChIKeyQDLQGUCHIDCROY-UHFFFAOYSA-N
XLogP2.70
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine with MolForge

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol
CID 79047638
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine (CID 79058596) is 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine is CCC(CC)(C(N)Cc1ncc(C)c(OC)c1C)N(C)C.
What is the InChIKey of 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is QDLQGUCHIDCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-8-17(9-2,20(5)6)15(18)10-14-13(4)16(21-7)12(3)11-19-14/h11,15H,8-10,18H2,1-7H3.
What are the key properties of 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine?
3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 293.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 79058596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).