N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine

C16H29N3O — CID 80630535

IUPACN-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
SMILESCCNCc1cnc(N(CCOC)C(C)CC)c(C)c1
InChIInChI=1S/C16H29N3O/c1-6-14(4)19(8-9-20-5)16-13(3)10-15(12-18-16)11-17-7-2/h10,12,14,17H,6-9,11H2,1-5H3
InChIKeyZESTYUSFKWWWSM-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.75
Rot. Bonds9

About N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine

N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine (PubChem CID 80630535) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
PubChem CID80630535
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
SMILESCCNCc1cnc(N(CCOC)C(C)CC)c(C)c1
InChIInChI=1S/C16H29N3O/c1-6-14(4)19(8-9-20-5)16-13(3)10-15(12-18-16)11-17-7-2/h10,12,14,17H,6-9,11H2,1-5H3
InChIKeyZESTYUSFKWWWSM-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine (CID 80630535) is N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine is CCNCc1cnc(N(CCOC)C(C)CC)c(C)c1.
What is the InChIKey of N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine?
The InChIKey is ZESTYUSFKWWWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-14(4)19(8-9-20-5)16-13(3)10-15(12-18-16)11-17-7-2/h10,12,14,17H,6-9,11H2,1-5H3.
What are the key properties of N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine?
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 80630535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).