2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine

C18H33N3 — CID 63488590

IUPAC2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
SMILESCCC(CC)CN(CC)c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C18H33N3/c1-7-15(8-2)14-21(9-3)17-10-11-19-16(12-17)13-20-18(4,5)6/h10-12,15,20H,7-9,13-14H2,1-6H3
InChIKeyRUBCPTFFYCXOGM-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.23
Rot. Bonds8

About 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine

2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine (PubChem CID 63488590) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
PubChem CID63488590
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
SMILESCCC(CC)CN(CC)c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C18H33N3/c1-7-15(8-2)14-21(9-3)17-10-11-19-16(12-17)13-20-18(4,5)6/h10-12,15,20H,7-9,13-14H2,1-6H3
InChIKeyRUBCPTFFYCXOGM-UHFFFAOYSA-N
XLogP4.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 62293189
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-methylpyridine-2,4-diamine
CID 113367600
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 55055081
2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine
CID 62283361
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205
2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82952467
N-ethyl-N-(2-methylprop-2-enyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62279471
N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine
CID 62286341
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496
4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
CID 113367946

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine (CID 63488590) is 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine is CCC(CC)CN(CC)c1ccnc(CNC(C)(C)C)c1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
The InChIKey is RUBCPTFFYCXOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-15(8-2)14-21(9-3)17-10-11-19-16(12-17)13-20-18(4,5)6/h10-12,15,20H,7-9,13-14H2,1-6H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine?
2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine has a molecular weight of 291.48 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine is sourced from PubChem (CID 63488590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).