N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine

C16H29N3O — CID 83122101

IUPACN-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)N(CCOC)c1ccc(C(C)NC)nc1
InChIInChI=1S/C16H29N3O/c1-6-14(7-2)19(10-11-20-5)15-8-9-16(18-12-15)13(3)17-4/h8-9,12-14,17H,6-7,10-11H2,1-5H3
InChIKeyDJASKLIEURQJFQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.00
Rot. Bonds9

About N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine

N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine (PubChem CID 83122101) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine
PubChem CID83122101
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)N(CCOC)c1ccc(C(C)NC)nc1
InChIInChI=1S/C16H29N3O/c1-6-14(7-2)19(10-11-20-5)15-8-9-16(18-12-15)13(3)17-4/h8-9,12-14,17H,6-7,10-11H2,1-5H3
InChIKeyDJASKLIEURQJFQ-UHFFFAOYSA-N
XLogP3.00
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-propan-2-ylpyridin-3-amine
CID 83128056
(1S)-1-[5-[2-methoxyethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938942
6-(1-aminoethyl)-N-butan-2-yl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122259
N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine
CID 83127627
(1R)-1-[5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938600
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 112660607
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
(1S)-1-[5-[2-methoxyethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938533
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121943
N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123007
N-methyl-6-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-3-amine
CID 112660503

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine (CID 83122101) is N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine is CCC(CC)N(CCOC)c1ccc(C(C)NC)nc1.
What is the InChIKey of N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine?
The InChIKey is DJASKLIEURQJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-14(7-2)19(10-11-20-5)15-8-9-16(18-12-15)13(3)17-4/h8-9,12-14,17H,6-7,10-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine?
N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine has a molecular weight of 279.43 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[1-(methylamino)ethyl]-N-pentan-3-ylpyridin-3-amine is sourced from PubChem (CID 83122101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).