N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C18H33N3 — CID 80632647

IUPACN-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CNC(C)C)cc1C
InChIInChI=1S/C18H33N3/c1-7-16(8-2)13-21(9-3)18-15(6)10-17(12-20-18)11-19-14(4)5/h10,12,14,16,19H,7-9,11,13H2,1-6H3
InChIKeyXADLJQSMZXRJDR-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.15
Rot. Bonds9

About N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 80632647) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID80632647
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CNC(C)C)cc1C
InChIInChI=1S/C18H33N3/c1-7-16(8-2)13-21(9-3)18-15(6)10-17(12-20-18)11-19-14(4)5/h10,12,14,16,19H,7-9,11,13H2,1-6H3
InChIKeyXADLJQSMZXRJDR-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 80632647) is N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CCC(CC)CN(CC)c1ncc(CNC(C)C)cc1C.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is XADLJQSMZXRJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-16(8-2)13-21(9-3)18-15(6)10-17(12-20-18)11-19-14(4)5/h10,12,14,16,19H,7-9,11,13H2,1-6H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80632647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).