3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine

C17H31N3 — CID 79747933

IUPAC3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine
SMILESCCc1ccc(CC(N)C(C)(CC)N(CC)CC)nc1
InChIInChI=1S/C17H31N3/c1-6-14-10-11-15(19-13-14)12-16(18)17(5,7-2)20(8-3)9-4/h10-11,13,16H,6-9,12,18H2,1-5H3
InChIKeyYHLYYBPUMRZYJK-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.02
Rot. Bonds8

About 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine

3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine (PubChem CID 79747933) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine
PubChem CID79747933
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine
SMILESCCc1ccc(CC(N)C(C)(CC)N(CC)CC)nc1
InChIInChI=1S/C17H31N3/c1-6-14-10-11-15(19-13-14)12-16(18)17(5,7-2)20(8-3)9-4/h10-11,13,16H,6-9,12,18H2,1-5H3
InChIKeyYHLYYBPUMRZYJK-UHFFFAOYSA-N
XLogP3.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 104802941
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
3-(dimethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-ol
CID 79746221
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 79745096
[1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274346
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
2-(5-ethyl-2-pyridinyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105014663
1-(2-chlorophenyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068977
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclohexyl)ethanamine
CID 106830386
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855
1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
CID 105169001

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine (CID 79747933) is 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine is CCc1ccc(CC(N)C(C)(CC)N(CC)CC)nc1.
What is the InChIKey of 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine?
The InChIKey is YHLYYBPUMRZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-14-10-11-15(19-13-14)12-16(18)17(5,7-2)20(8-3)9-4/h10-11,13,16H,6-9,12,18H2,1-5H3.
What are the key properties of 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine?
3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine is sourced from PubChem (CID 79747933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).